Dr David L. Cooper MA DPhil MRSC CChem
Reader in Physical Chemistry (+ Years 3-5 Coordinator) Chemistry
- +44 (0)151 794 3532
- Work email Dlc@liverpool.ac.uk
- Personal WebsiteDavid L. Cooper
Publications
Selected Publications
2021
Spin-Coupled Generalized Valence Bond Theory: New Perspectives on the Electronic Structure of Molecules and Chemical Bonds (Journal article)
Dunning, T. H., Xu, L. T., Cooper, D. L., & Karadakov, P. B. (2021). Spin-Coupled Generalized Valence Bond Theory: New Perspectives on the Electronic Structure of Molecules and Chemical Bonds.. The journal of physical chemistry. A, 125(10), 2021-2050. doi:10.1021/acs.jpca.0c10472
Investigating Istvan Mayer's "improved" definitions of bond orders and free valence for correlated singlet-state wave functions (Journal article)
Cooper, D. L., Ponec, R., & Karadakov, P. B. (2021). Investigating Istvan Mayer's "improved" definitions of bond orders and free valence for correlated singlet-state wave functions. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. doi:10.1002/qua.26612
2020
Comparison of DAFH and FALDI-like approaches (Journal article)
Cooper, D. L., de Lange, J. H., & Ponec, R. (2020). Comparison of DAFH and FALDI-like approaches. THEORETICAL CHEMISTRY ACCOUNTS, 139(12). doi:10.1007/s00214-020-02686-w
Excited-state Aromaticity Reversals in Möbius Annulenes (Journal article)
Karadakov, P. B., Di, M., & Cooper, D. L. (2020). Excited-State Aromaticity Reversals in Mobius Annulenes. JOURNAL OF PHYSICAL CHEMISTRY A, 124(46), 9611-9616. doi:10.1021/acs.jpca.0c08594
Are multicentre bond indices and related quantities reliable predictors of excited-state aromaticity? (Journal article)
Ponec, R., Cooper, D. L., & Karadakov, P. B. (2020). Are Multicentre Bond Indices and Related Quantities Reliable Predictors of Excited-State Aromaticity?. MOLECULES, 25(20). doi:10.3390/molecules25204791
Nature of the chemical bonding in D3h [MH3M]? cations (M = Be, Mg) (Journal article)
Penotti, F. E., Cooper, D. L., Karadakov, P. B., & Ponec, R. (2020). Nature of the chemical bonding in D3h [MH3M]? cations (M = Be, Mg). International Journal of Quantum Chemistry. doi:10.22541/au.157592439.94326425
Resolving a puzzling anomaly in the spin-coupled generalized valence bond description of benzene (Journal article)
Xu, L. T., Cooper, D. L., & Dunning, Jr, T. H. (2020). Resolving a puzzling anomaly in the spin-coupled generalized valence bond description of benzene. Journal of Computational Chemistry, 41(15), 1421-1426. doi:10.1002/jcc.26185
2019
Nine questions on energy decomposition analysis (Journal article)
Andrés, J., Boto, R. A., Ayers, P. W., Carbó-Dorca, R., Chermette, H., Cioslowski, J., . . . Zins, É. -L. (2019). Nine questions on energy decomposition analysis. Journal of Computational Chemistry, 40(26), 2248-2283. doi:10.1002/jcc.26003
Is the S2N2 ring a singlet diradical? Critical analysis of alternative valence bond descriptions (Journal article)
Penotti, F. E., Cooper, D. L., & Karadakov, P. B. (2019). Is the S2N2 ring a singlet diradical? Critical analysis of alternative valence bond descriptions. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 119(7). doi:10.1002/qua.25845
2018
Does the electronic structure of Möbius annulenes follow Heilbronner’s ideas? (Journal article)
Karadakov, P. B., & Cooper, D. L. (2018). Does the electronic structure of Möbius annulenes follow Heilbronner’s ideas?. ChemPhysChem, 19(23), 3186-3190. doi:10.1002/cphc.201800884
Magnetic shielding, aromaticity, antiaromaticity and bonding in the low-lying electronic states of S2N2 (Journal article)
Karadakov, P. B., Al-Yassiri, M. A. H., & Cooper, D. L. (2018). Magnetic shielding, aromaticity, antiaromaticity and bonding in the low-lying electronic states of S2N2. Chemistry: A European Journal, 24(63), 16791-16803. doi:10.1002/chem.201804292
Study of the antimalarial activity of 4-aminoquinoline compounds against chloroquine-sensitive and chloroquine-resistant parasite strains (Journal article)
Lawrenson, A. S., Cooper, D. L., O'Neill, P. M., & Berry, N. G. (2018). Study of the antimalarial activity of 4-aminoquinoline compounds against chloroquine-sensitive and chloroquine-resistant parasite strains. JOURNAL OF MOLECULAR MODELING, 24(9). doi:10.1007/s00894-018-3755-z
Theoretical investigations of the chemical bonding in MM'O2 clusters (M, M' = Be, Mg, Ca). (Journal article)
Ponec, R., & Cooper, D. L. (2018). Theoretical investigations of the chemical bonding in MM'O-2 clusters (M, M' = Be, Mg, Ca). JOURNAL OF MOLECULAR MODELING, 24(9). doi:10.1007/s00894-018-3764-y
Electronic structure and bonding situation in M2O2 (M = Be, Mg, Ca) rhombic clusters (Journal article)
Li, W. -L., Lu, J. -B., Zhao, L., Ponec, R., Cooper, D. L., Li, J., & Frenking, G. (2018). Electronic Structure and Bonding Situation in M2O2 (M = Be, Mg, Ca) Rhombic Clusters. JOURNAL OF PHYSICAL CHEMISTRY A, 122(10), 2816-2822. doi:10.1021/acs.jpca.8b01335
Surface tension, density and composition in the methane-pentane system at high pressure (Journal article)
Satherley, J., Cooper, D. L., & Schiffrin, D. J. (2018). Surface tension, density and composition in the methane-pentane system at high pressure. Fluid Phase Equilibria, 456, 193-202. doi:10.1016/j.fluid.2017.10.023
Insights into molecular electronic structure from domain-averaged Fermi hole (DAFH) and bond order analysis using correlated density matrices (Chapter)
Cooper, D. L., & Ponec, R. (2018). Insights into molecular electronic structure from domain-averaged Fermi hole (DAFH) and bond order analysis using correlated density matrices. In R. Carbó-Dorca, & T. Chakraborty (Eds.), Quantum Chemistry at the Dawn of the 21st Century (Vol. 1, 1 ed., pp. 405-443). New Jersey: Apple Academic Press.
2017
Modern valence-bond descriptions of polycyclic fused aromatic compounds involving cyclopropenyl rings (Journal article)
Karadakov, P. B., & Cooper, D. L. (2017). Modern valence-bond descriptions of polycyclic fused aromatic compounds involving cyclopropenyl rings. COMPUTATIONAL AND THEORETICAL CHEMISTRY, 1116, 32-39. doi:10.1016/j.comptc.2017.01.003
Reassessing spin-coupled (full generalized valence bond) descriptions of ozone using three-center bond indices (Journal article)
Cooper, D. L., Penotti, F. E., & Ponec, R. (2017). Reassessing spin-coupled (full generalized valence bond) descriptions of ozone using three-center bond indices. COMPUTATIONAL AND THEORETICAL CHEMISTRY, 1116, 40-49. doi:10.1016/j.comptc.2016.12.010
Insights from domain-averaged Fermi hole (DAFH) analysis and multicenter bond indices into the nature of Be(0) bonding (Journal article)
Ponec, R., & Cooper, D. L. (2017). Insights from domain-averaged Fermi hole (DAFH) analysis and multicenter bond indices into the nature of Be(0) bonding. STRUCTURAL CHEMISTRY, 28(4), 1033-1043. doi:10.1007/s11224-017-0914-2
Sensitive Analysis of Protein Adsorption to Colloidal Gold by Differential Centrifugal Sedimentation (Journal article)
Davidson, A. M., Brust, M., Cooper, D. L., & Volk, M. (2017). Sensitive Analysis of Protein Adsorption to Colloidal Gold by Differential Centrifugal Sedimentation. ANALYTICAL CHEMISTRY, 89(12), 6807-6814. doi:10.1021/acs.analchem.7b01229
2016
Modern valence-Bond description of homoaromaticity (Journal article)
Karadakov, P. B., & Cooper, D. L. (2016). Modern Valence-Bond Description of Homoaromaticity. Journal of Physical Chemistry A, 120(43), 8769-8779. doi:10.1021/acs.jpca.6b09426
Combining rival p-space descriptions of O3 and of SO2 (Journal article)
Penotti, F. E., & Cooper, D. L. (2016). Combining rival -space descriptions of O-3 and of SO2. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 116(9), 718-730. doi:10.1002/qua.25094
2015
New insights from domain-averaged Fermi holes and bond order analysis into the bonding conundrum in C2 (Journal article)
Cooper, D. L., Ponec, R., & Kohout, M. (2015). New insights from domain-averaged Fermi holes and bond order analysis into the bonding conundrum in C2. Molecular Physics, 114(7-8), 1270-1284. doi:10.1080/00268976.2015.1112925
Three-dimensional networks containing rectangular Sr4 and Ba4 units: Synthesis, structure, bonding, and potential application for Ne gas separation (Journal article)
Mandal, S., Pan, S., Deb, D., Giri, S., Duley, S., Radenkovic, S., . . . Chattaraj, P. K. (2015). Three-dimensional networks containing rectangular Sr-4 and Ba-4 units: Synthesis, structure, bonding, and potential application for Ne gas separation. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 115(20), 1501-1509. doi:10.1002/qua.24970
Are orbital-resolved shared-electron distribution indices and Cioslowski covalent bond orders useful for molecules? (Journal article)
Cooper, D. L., Ponec, R., & Kohout, M. (2015). Are orbital-resolved shared-electron distribution indices and Cioslowski covalent bond orders useful for molecules?. MOLECULAR PHYSICS, 113(13-14), 1682-1689. doi:10.1080/00268976.2015.1004377
Combining symmetry-separated and bent-bond spin-coupled models of cylindrically symmetric multiple bonding (Journal article)
Penotti, F. E., & Cooper, D. L. (2015). Combining symmetry-separated and bent-bond spin-coupled models of cylindrically symmetric multiple bonding. MOLECULAR PHYSICS, 113(13-14), 1690-1694. doi:10.1080/00268976.2015.1005705
Bonding in Singlet and Triplet Butalene: Insights from Spin-Coupled Theory (Journal article)
Cooper, D. L., Karadakov, P. B., & Duke, B. J. (2015). Bonding in Singlet and Triplet Butalene: Insights from Spin-Coupled Theory. JOURNAL OF PHYSICAL CHEMISTRY A, 119(10), 2169-2175. doi:10.1021/acs.jpca.5b00522
Six questions on topology in theoretical chemistry (Journal article)
Ayers, P. L. A., Boyd, R. J. B., Bultinck, P., Caffarel, M. D., Carbo-Dorca, R. E., Causa, M. F., . . . Tsirelson, V. X. (2015). Six questions on topology in theoretical chemistry. COMPUTATIONAL AND THEORETICAL CHEMISTRY, 1053, 2-16. doi:10.1016/j.comptc.2014.09.028
Why is the bond multiplicity in C2 so elusive? (Journal article)
Cooper, D. L., Penotti, F. E., & Ponec, R. (2015). Why is the bond multiplicity in C2 so elusive?. Computational and Theoretical Chemistry, 1053, 189-194. doi:10.1016/j.comptc.2014.08.024
2014
Bonding in benzodicyclobutadiene isomers: insights from modern valence bond theory (Journal article)
Cooper, D. L., & Karadakov, P. B. (2014). Bonding in benzodicyclobutadiene isomers: insights from modern valence bond theory. MOLECULAR PHYSICS, 112(21), 2840-2852. doi:10.1080/00268976.2014.914598
2013
Modern valence-bond description of aromatic annulene ions (Journal article)
Karadakov, P. B., & Cooper, D. L. (2013). Modern valence-bond description of aromatic annulene ions. THEORETICAL CHEMISTRY ACCOUNTS, 133(1). doi:10.1007/s00214-013-1421-1
High-Resolution Sizing of Monolayer-Protected Gold Clusters by Differential Centrifugal Sedimentation (Journal article)
Krpetic, Z., Davidson, A. M., Volk, M., Levy, R., Brust, M., & Cooper, D. L. (2013). High-Resolution Sizing of Monolayer-Protected Gold Clusters by Differential Centrifugal Sedimentation. ACS NANO, 7(10), 8881-8890. doi:10.1021/nn403350v
Bond formation in diatomic transition metal hydrides: Insights from the analysis of domain-averaged fermi holes (Journal article)
Cooper, D. L., & Ponec, R. (2013). Bond formation in diatomic transition metal hydrides: Insights from the analysis of domain-averaged fermi holes. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 113(2), 102-111. doi:10.1002/qua.24172
2012
Spin-Coupled Theory for 'N Electrons in M Orbitals' Active Spaces (Journal article)
Karadakov, P. B., Cooper, D. L., Duke, B. J., & Li, J. (2012). Spin-Coupled Theory for 'N Electrons in M Orbitals' Active Spaces. JOURNAL OF PHYSICAL CHEMISTRY A, 116(26), 7238-7244. doi:10.1021/jp303998h
2011
Variational second order density matrix study of F3?: Importance of subspace constraints for size-consistency (Journal article)
van Aggelen, H., Verstichel, B., Bultinck, P., Van Neck, D., Ayers, P. W., & Cooper, D. L. (2011). Variational second order density matrix study of F-3(-): Importance of subspace constraints for size-consistency. JOURNAL OF CHEMICAL PHYSICS, 134(5). doi:10.1063/1.3532409
2010
Influence of Atoms-in-Molecules Methods on Shared-Electron Distribution Indices and Domain-Averaged Fermi Holes (Journal article)
Bultinck, P., Cooper, D. L., & Ponec, R. (2010). Influence of Atoms-in-Molecules Methods on Shared-Electron Distribution Indices and Domain-Averaged Fermi Holes. JOURNAL OF PHYSICAL CHEMISTRY A, 114(33), 8754-8763. doi:10.1021/jp101707w
Chemical verification of variational second-order density matrix based potential energy surfaces for the N2 isoelectronic series (Journal article)
van Aggelen, H., Verstichel, B., Bultinck, P., Van Neck, D., Ayers, P. W., & Cooper, D. L. (2010). Chemical verification of variational second-order density matrix based potential energy surfaces for the N-2 isoelectronic series. JOURNAL OF CHEMICAL PHYSICS, 132(11). doi:10.1063/1.3354910
2009
Modern Valence Bond Description of the Electronic Mechanism of a [1,3] Sigmatropic Rearrangement Linking Bicyclo[3.2.0]hept-2-ene and Bicyclo[2.2.1]hept-2-ene (Norbornene) (Journal article)
Karadakov, P. B., Cooper, D. L., & Uhe, A. (2009). Modern Valence Bond Description of the Electronic Mechanism of a [1,3] Sigmatropic Rearrangement Linking Bicyclo[3.2.0]hept-2-ene and Bicyclo[2.2.1]hept-2-ene (Norbornene). INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 109(9), 1807-1811. doi:10.1002/qua.21961
Anatomy of Bond Formation: Insights from the Analysis of Domain-Averaged Fermi Holes in Momentum Space (Journal article)
Cooper, D. L., & Ponec, R. (2009). Anatomy of Bond Formation: Insights from the Analysis of Domain-Averaged Fermi Holes in Momentum Space. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 109(11), 2383-2392. doi:10.1002/qua.22046
Comparison Between the Performances of the Spin-Projected Hartree-Fock, Generalized Valence-Bond, and Spin-Coupled Approaches (Journal article)
Karadakov, P. B., & Cooper, D. L. (2009). Comparison Between the Performances of the Spin-Projected Hartree-Fock, Generalized Valence-Bond, and Spin-Coupled Approaches. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 109(11), 2447-2455. doi:10.1002/qua.22004
Predictions of Toxicity to Chlorella vulgaris and the Use of Momentum-space Descriptors (Journal article)
Al-Fahemi, J. H. A., Cooper, D. L., & Allan, N. L. (2009). Predictions of Toxicity to Chlorella vulgaris and the Use of Momentum-space Descriptors. CROATICA CHEMICA ACTA, 82(1), 311-316. Retrieved from http://gateway.webofknowledge.com/
QSAR using momentum-space and trivial feature count descriptors - An application to Tetrahymena pyriformis toxicity (Journal article)
Al-Fahemi, J. H. A., Cooper, D. L., & Allan, N. L. (2009). QSAR using momentum-space and trivial feature count descriptors - An application to Tetrahymena pyriformis toxicity. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 901(1-3), 56-59. doi:10.1016/j.theochem.2009.01.007
Comparison of the Hirshfeld-I and iterated stockholder atoms in molecules schemes (Journal article)
Bultinck, P., Cooper, D. L., & Van Neck, D. (2009). Comparison of the Hirshfeld-I and iterated stockholder atoms in molecules schemes. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 11(18), 3424-3429. doi:10.1039/b821734c
Spin-coupled descriptions of organic reactivity (Journal article)
Cooper, D. L., & Karadakov, P. B. (2009). Spin-coupled descriptions of organic reactivity. INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY, 28(2), 169-206. doi:10.1080/01442350902996092
2008
Spin-Coupled Description of Aromaticity in the Retro Diels-Alder Reaction of Norbornene (Journal article)
Hill, J. G., Cooper, D. L., & Karadakov, P. B. (2008). Spin-Coupled Description of Aromaticity in the Retro Diels-Alder Reaction of Norbornene. JOURNAL OF PHYSICAL CHEMISTRY A, 112(50), 12823-12828. doi:10.1021/jp800969k
Analytic models of domain-averaged fermi holes: A new tool for the study of the nature of chemical bonds (Journal article)
Ponec, R., Cooper, D. L., & Savin, A. (2008). Analytic models of domain-averaged fermi holes: A new tool for the study of the nature of chemical bonds. CHEMISTRY-A EUROPEAN JOURNAL, 14(11), 3338-3345. doi:10.1002/chem.200701727
A one-electron approximation to domain-averaged Fermi hole analysis (Journal article)
Cooper, D. L., & Ponec, R. (2008). A one-electron approximation to domain-averaged Fermi hole analysis. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 10(9), 1319-1329. doi:10.1039/b715904h
2007
Anatomy of bond formation. Domain-averaged Fermi holes as a tool for the study of the nature of the chemical bonding in Li2, Li4 and F2 (Journal article)
Ponec, R. (2007). Anatomy of bond formation. domain-averaged fermi holes as a tool for the study of the nature of the chemical bonding in Li-2, Li-4, and F-2. JOURNAL OF PHYSICAL CHEMISTRY A, 111(44), 11294-11301. doi:10.1021/jp070817f
Investigating the utility of momentum-space descriptors for predicting blood-brain barrier penetration (Journal article)
Al-Fahemi, J. H. A., Cooper, D. L., & Allan, N. L. (2007). Investigating the utility of momentum-space descriptors for predicting blood-brain barrier penetration. JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 26(3), 607-612. doi:10.1016/j.jmgm.2007.01.002
Modern Valence Bond Theory (Journal article)
Cooper, D. L., Gerratt, J., & Raimondi, M. (n.d.). Modern Valence Bond Theory. Unknown Journal, 319-397. doi:10.1002/9780470142943.ch6
Anatomy of bond formation. Bond length dependence of the extent of electron sharing in chemical bonds from the analysis of domain-averaged Fermi holes (Journal article)
Ponec, R., & Cooper, D. L. (2007). Anatomy of bond formation. Bond length dependence of the extent of electron sharing in chemical bonds from the analysis of domain-averaged Fermi holes. FARADAY DISCUSSIONS, 135, 31-42. doi:10.1039/b605313k
The unusual electronic mechanism of the [1,5] hydrogen shift in (Z)-1,3-pentadiene predicted by modern valence bond theory (Journal article)
Karadakov, P. B., Hill, J. G., & Cooper, D. L. (2007). The unusual electronic mechanism of the [1,5] hydrogen shift in (Z)-1,3-pentadiene predicted by modern valence bond theory. FARADAY DISCUSSIONS, 135, 285-297. doi:10.1039/b605100f
2006
Modern valence-bond-like representations of selected D6h "aromatic" rings (Journal article)
Hill, J. G., Cooper, D. L., & Karadakov, P. B. (2006). Modern valence-bond-like representations of selected D-6h "aromatic" rings. JOURNAL OF PHYSICAL CHEMISTRY A, 110(25), 7913-7917. doi:10.1021/jp057458d
A spin-coupled study of the Claisen rearrangement of allyl vinyl ether (Journal article)
Hill, J. G., Karadakov, P. B., & Cooper, D. L. (2006). A spin-coupled study of the Claisen rearrangement of allyl vinyl ether. THEORETICAL CHEMISTRY ACCOUNTS, 115(4), 212-220. doi:10.1007/s00214-005-0007-y
The spin-coupled picture of clamped benzenes (Journal article)
Hill, J. G., Karadakov, P. B., & Cooper, D. L. (2006). The spin-coupled picture of clamped benzenes. MOLECULAR PHYSICS, 104(5-7), 677-680. doi:10.1080/0028970500417630
The electronic structure of nitrilimine: absence of the carbenic form (Journal article)
Cargnoni, F., Molteni, G., Cooper, D. L., Raimondi, M., & Ponti, A. (2006). The electronic structure of nitrilimine: absence of the carbenic form. CHEMICAL COMMUNICATIONS, (9), 1030-1032. doi:10.1039/b517030c
2005
The quantitative use of momentum-space descriptors (Journal article)
Al-Fahemi, J. H., Cooper, D. L., & Allan, N. L. (2005). The quantitative use of momentum-space descriptors. CHEMICAL PHYSICS LETTERS, 416(4-6), 376-380. doi:10.1016/j.cplett.2005.09.055
Anatomy of bond formation. Bond length dependence of the extent of electron sharing in chemical bonds (Journal article)
Ponec, R., & Cooper, D. L. (2005). Anatomy of bond formation. Bond length dependence of the extent of electron sharing in chemical bonds. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 727(1-3), 133-138. doi:10.1016/j.theochem.2005.02.032
The use of momentum-space descriptors for predicting octanol-water partition coefficients (Journal article)
Al-Fahemi, J. H., Cooper, D. L., & Allan, N. L. (2005). The use of momentum-space descriptors for predicting octanol-water partition coefficients. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 727(1-3), 57-61. doi:10.1016/j.theochem.2005.02.016
Spin-coupled study of the electronic mechanism of the hetero-diels-alder reaction of acrolein and ethene (Journal article)
Blavins, J. J., Cooper, D. L., & Karadakov, P. B. (2005). Spin-coupled study of the electronic mechanism of the hetero-diels-alder reaction of acrolein and ethene. JOURNAL OF PHYSICAL CHEMISTRY A, 109(1), 231-235. doi:10.1021/jp047431e
Chemistry and bonding (Book Review)
Cooper, D. L. (2005). Chemistry and bonding. Chemistry World, 2, 54.
2004
Multicenter bonding and the structure of electron-rich molecules. Model of three-center four-electron bonding reconsidered (Journal article)
Ponec, R., Yuzhakov, G., & Cooper, D. L. (2004). Multicenter bonding and the structure of electron-rich molecules. Model of three-center four-electron bonding reconsidered. THEORETICAL CHEMISTRY ACCOUNTS, 112(5-6), 419-430. doi:10.1007/s00214-004-0597-9
Target isotope effects for vibrationally-resolved electron capture in low-energy collisions of O³? with molecular hydrogen (Journal article)
Stancil, P. C., Wang, J. G., Turner, A. R., & Cooper, D. L. (2004). Target isotope effects for vibrationally-resolved electron capture in low-energy collisions of O3+ with molecular hydrogen. FARADAY DISCUSSIONS, 127, 73-80. doi:10.1039/b314016d
Spin-coupled study of addition reactions of singlet dihalocarbenes with ethene (Journal article)
Blavins, J. J., Cooper, D. L., & Karadakov, P. B. (2004). Spin-coupled study of addition reactions of singlet dihalocarbenes with ethene. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 98(5), 465-472. doi:10.1002/qua.20081
Generalized population analysis of three-center two-electron bonding (Journal article)
Ponec, R., & Cooper, D. L. (2004). Generalized population analysis of three-center two-electron bonding. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 97(6), 1002-1011. doi:10.1002/qua.20007
Modern valence bond description of the electronic mechanisms of S(N)2 identity reactions (Journal article)
Blavins, J. J., Cooper, D. L., & Karadakov, P. B. (2004). Modern valence bond description of the electronic mechanisms of S(N)2 identity reactions. JOURNAL OF PHYSICAL CHEMISTRY A, 108(5), 914-920. doi:10.1021/jp037348b
Aromatic vs diradical character in the transition states of the cope rearrangements of 1,5-hexadiene and its cyano derivatives (Journal article)
Blavins, J. J., Cooper, D. L., & Karadakov, P. B. (2004). Aromatic vs diradical character in the transition states of the cope rearrangements of 1,5-hexadiene and its cyano derivatives. JOURNAL OF PHYSICAL CHEMISTRY A, 108(1), 194-202. doi:10.1021/jp036660i
Vibrationally resolved charge transfer of O³? with molecular hydrogen (Journal article)
Wang, J. G., Stancil, P. C., Turner, A. R., & Cooper, D. L. (2004). Vibrationally resolved charge transfer of O3+ with molecular hydrogen. PHYSICAL REVIEW A, 69(6). doi:10.1103/PhysRevA.69.062702
2003
Structure-property relationships and momentum space quantities: Hammett s-constants (Journal article)
Amat, L., Carbo-Dorca, R., Cooper, D. L., Allan, N. L., & Ponec, R. (2003). Structure-property relationships and momentum space quantities: Hammett sigma-constants. MOLECULAR PHYSICS, 101(21), 3159-3162. doi:10.1080/00268970310001632499
Modern valence-bond description of chemical reaction mechanisms: The 1,3-dipolar addition of methyl azide to ethene (Journal article)
Blavins, J. J., Karadakov, P. B., & Cooper, D. L. (2003). Modern valence-bond description of chemical reaction mechanisms: The 1,3-dipolar addition of methyl azide to ethene. JOURNAL OF PHYSICAL CHEMISTRY A, 107(14), 2548-2559. doi:10.1021/jp027331d
Electron reorganization in chemical reactions. structural changes from the analysis of bond order profiles (Journal article)
Ponec, R., Yuzhakov, G., & Cooper, D. L. (2003). Electron reorganization in chemical reactions. structural changes from the analysis of bond order profiles. JOURNAL OF PHYSICAL CHEMISTRY A, 107(12), 2100-2105. doi:10.1021/jp027431j
Classification of reaction pathways via momentum-space and quantum molecular similarity measures (Journal article)
Amat, L., Carbo-Dorca, R., Cooper, D. L., & Allan, N. L. (2003). Classification of reaction pathways via momentum-space and quantum molecular similarity measures. CHEMICAL PHYSICS LETTERS, 367(1-2), 207-213. doi:10.1016/S0009-2614(02)01701-3
Ab initio study of charge transfer in B²? low-energy collisions with atomic hydrogen (Journal article)
Turner, A. R., Cooper, D. L., Wang, J. G., & Stancil, P. C. (2003). Ab initio study of charge transfer in B2+ low-energy collisions with atomic hydrogen. PHYSICAL REVIEW A, 68(1). doi:10.1103/PhysRevA.68.012704
Charge transfer of O³? ions with atomic hydrogen (Journal article)
Wang, J. G., Stancil, P. C., Turner, A. R., & Cooper, D. L. (2003). Charge transfer of O3+ ions with atomic hydrogen. PHYSICAL REVIEW A, 67(1). doi:10.1103/PhysRevA.67.012710
Spin-coupled theory (Chapter)
Gerratt, J., Cooper, D. L., Karadakov, P. B., & Raimondi, M. (2003). Spin-coupled theory. In S. Wilson (Ed.), Handbook of Molecular Physics and Quantum Chemistry (Vol. 2, pp. 148-168). Chichester: John Wiley. Retrieved from http://eu.wiley.com/WileyCDA/WileyTitle/productCd-0471623741.html
Valence bond theory: Determinantal methods (Chapter)
Sironi, M., Cooper, D. L., & Raimondi, M. (2003). Valence bond theory: Determinantal methods. In S. Wilson (Ed.), Handbook of Molecular Physics and Quantum Chemistry (Vol. 2, pp. 140-147). Chichester: John Wiley. Retrieved from http://eu.wiley.com/WileyCDA/WileyTitle/productCd-0471623741.html
Valence bond theory: Other methods (Chapter)
Cooper, D. L. (2003). Valence bond theory: Other methods. In S. Wilson (Ed.), Handbook of Molecular Physics and Quantum Chemistry (Vol. 2, pp. 169-172). Chichester: John Wiley. Retrieved from http://eu.wiley.com/WileyCDA/WileyTitle/productCd-0471623741.html
2002
Preface: Valence bond theory (Chapter)
Cooper, D. L. (2002). Valence bond theory: Preface. In Unknown Book (Vol. 10).
Electron capture in collisions of S4? with helium (Journal article)
Wang, J. G., Turner, A. R., Cooper, D. L., Schultz, D. R., Rakovic, M. J., Fritsch, W., . . . Zygelman, B. (2002). Electron capture in collisions of S4+ with helium. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 35(14), 3137-3156. doi:10.1088/0953-4075/35/14/310
Low-Energy Charge Transfer in Multiply-Charged Ion-Atom Collisions Studied with the Combined SCVB-MOCC Approach (Journal article)
Cooper, D. L., Stancil, P. C., Turner, A. R., Wang, J. G., Clarke, N. J., & Zygelman, B. (2002). Low-Energy Charge Transfer in Multiply-Charged Ion-Atom Collisions Studied with the Combined SCVB-MOCC Approach. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 3(3), 220-229. doi:10.3390/i3030220
Modern Valence Bond Description of Gas-Phase Pericyclic Reactions (Chapter)
Cooper, D. L., Karadakov, P. B., & Thorsteinsson, T. (2002). Modern Valence Bond Description of Gas-Phase Pericyclic Reactions. In Theoretical and Computational Chemistry (pp. 41-53). Elsevier. doi:10.1016/s1380-7323(02)80003-6
Recent developments of the SCVB method (Chapter)
Sironi, M., Raimondi, M., Martinazzo, R., Gianturco, F. A., & Cooper, D. L. (2002). Recent developments of the SCVB method. In Theoretical and Computational Chemistry (pp. 261-277). Elsevier. doi:10.1016/s1380-7323(02)80010-3
Valence Bond Theory (Book)
Cooper, D. L. (Ed.) (2002). Valence Bond Theory. Amsterdam: Elsevier.
2001
Reply to comment "Electronic reorganization in 1,3-dipolar cycloaddition of fulminic acid to acetylene" (Journal article)
Karadakov, P. B., & Cooper, D. L. (2001). Reply to comment "Electronic reorganization in 1,3-dipolar cycloaddition of fulminic acid to acetylene". JOURNAL OF PHYSICAL CHEMISTRY A, 105(48), 10946. doi:10.1021/jp011935k
Silynes (RC identical with SiR') and Disilynes (RSi identical with SiR'): Why Are Less Bonds Worth Energetically More? The research is supported by an Israel Science Foundation (ISF) and a Niedersachsen grant (to S.S.), by a U.S.-Israel Binational Science Foundation (BSF) grant (to Y.A.) and by the Minerva Foundation. S.S. and F.O. thank the European Union for a Marie Curie Fellowship (Contract number: MCFI-1999-00145). S.S. and D.D. thank P. C. Hiberty for the helpful advice. (Journal article)
Danovich, D., Ogliaro, F., Karni, M., Apeloig, Y., Cooper, D. L., & Shaik, S. (2001). Silynes (RC identical with SiR') and Disilynes (RSi identical with SiR'): Why Are Less Bonds Worth Energetically More? The research is supported by an Israel Science Foundation (ISF) and a Niedersachsen grant (to S.S.), by a U.S.-Israel Binational Science Foundation (BSF) grant (to Y.A.) and by the Minerva Foundation. S.S. and F.O. thank the European Union for a Marie Curie Fellowship (Contract number: MCFI-1999-00145). S.S. and D.D. thank P. C. Hiberty for the helpful advice.. Angewandte Chemie (International ed. in English), 40(21), 4023-4026. doi:3.0.co;2-z">10.1002/1521-3773(20011105)40:21<4023::aid-anie4023>3.0.co;2-z
DOI: 10.1002/1521-3773(20011105)40:21<4023::aid-anie4023>3.0.co;2-z
Silynes (RC=SiR ') and disilynes (RSi=SiR '): Why are less bonds worth energetically more? (Journal article)
Danovich, D., Ogliaro, F., Karni, M., Apeloig, Y., Cooper, D. L., & Shaik, S. (2001). Silynes (RC equivalent to SiR ') and disilynes (RSi equivalent to SiR '): Why are less bonds worth energetically more?. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 40(21), 4023-+. doi:3.0.CO;2-Z">10.1002/1521-3773(20011105)40:21<4023::AID-ANIE4023>3.0.CO;2-Z
DOI: 10.1002/1521-3773(20011105)40:21<4023::aid-anie4023>3.0.co;2-z
Semi-empirical valence bond models of conjugated alkenes with donor and acceptor substituents (Journal article)
Wu, J., & Cooper, D. L. (2001). Semi-empirical valence bond models of conjugated alkenes with donor and acceptor substituents. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 3(12), 2419-2423. doi:10.1039/b101316p
Electron capture in collisions of S4? with atomic hydrogen (Journal article)
Stancil, P. C., Turner, A. R., Cooper, D. L., Schultz, D. R., Rakovic, M. J., Fritsch, W., & Zygelman, B. (2001). Electron capture in collisions of S4+ with atomic hydrogen. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 34(12), 2481-2504. doi:10.1088/0953-4075/34/12/313
Modern valence-bond description of chemical reaction mechanisms: The 1,3-dipolar addition of diazomethane to ethene (Journal article)
Blavins, J. J., Karadakov, P. B., & Cooper, D. L. (2001). Modern valence-bond description of chemical reaction mechanisms: The 1,3-dipolar addition of diazomethane to ethene. JOURNAL OF ORGANIC CHEMISTRY, 66(12), 4285-4292. doi:10.1021/jo015560a
Spin-coupled description of the chemical bonding to hypercoordinate chlorine (Journal article)
Cooper, D. L. (2001). Spin-coupled description of the chemical bonding to hypercoordinate chlorine. THEORETICAL CHEMISTRY ACCOUNTS, 105(4-5), 323-327. doi:10.1007/PL00013292
Confronting modern valence bond theory with momentum-space quantum similarity and with pair density analysis (Chapter)
Cooper, D. L., Allan, N. L., & Karadakov, P. B. (2001). Confronting modern valence bond theory with momentum-space quantum similarity and with pair density analysis. In Mathematical and Computational Chemistry (pp. 169-185). Springer US. doi:10.1007/978-1-4757-3273-3_11
Recent applications of spin-coupled valence bond theory to charge transfer collisions (Journal article)
Cooper, D. L., Clarke, N. J., Stancil, P. C., & Zygelman, B. (2001). Recent applications of spin-coupled valence bond theory to charge transfer collisions. ADVANCES IN QUANTUM CHEMISTRY, VOL 40: NEW PERSPECTIVES IN QUANTUM SYSTEMS IN CHEMISTRY AND PHYSICS, PT 2, 40, 37-48. doi:10.1016/S0065-3276(01)40008-6
Symmetry-separated (s+p) vs Bent-bond (O) Models of First-row Transition-metal Methylene Cations (Journal article)
Ogliaro, F., Loades, S. D., Cooper, D. L., & Karadakov, P. B. (2001). Symmetry-separated (sigma+pi) vs bent-bond (Omega) models of first-row transition-metal methylene cations. NEW TRENDS IN QUANTUM SYSTEMS IN CHEMISTRY AND PHYSICS, VOL 1, 6, 281-311. Retrieved from http://gateway.webofknowledge.com/
2000
Spin-coupled model of the bonding in first-row transition metal methylene monocations (Journal article)
Ogliaro, F., Loades, S. D., Cooper, D. L., & Karadakov, P. B. (2000). Spin-coupled model of the bonding in first-row transition metal methylene monocations. JOURNAL OF PHYSICAL CHEMISTRY A, 104(30), 7091-7098. doi:10.1021/jp994430r
An overview of the CASVB approach to modern valence bond calculations (Chapter)
Thorsteinsson, T., & Cooper, D. L. (2000). An overview of the CASVB approach to modern valence bond calculations. In A. Hernández-Laguna, J. Maruani, R. McWeeny, & S. Wilson (Eds.), Quantum Systems in Chemistry and Physics. Volume 1: Basic Problems and Model Systems. (pp. 303-326). Dordrecht: Kluwer. Retrieved from http://www.springer.com/gb/book/9780792359692
Modern valence-bond description of the mechanisms of six-electron pericyclic reactions (Chapter)
Karadakov, P. B., Cooper, D. L., Thorsteinsson, T., & Gerratt, J. (2000). Modern valence-bond description of the mechanisms of six-electron pericyclic reactions. In A. Hernández-Laguna, J. Maruani, R. McWeeny, & S. Wilson (Eds.), Quantum Systems in Chemistry and Physics. Volume 1: Basic Problems and Model Systems. (pp. 327-344). Dordrecht: Kluwer. Retrieved from http://www.springer.com/gb/book/9780792359692
1999
Hypercoordinate bonding to main group elements: the spin-coupled point of view (Journal article)
Cooper, D. L., Gerratt, J., & Raimondi, M. (1999). Hypercoordinate bonding to main group elements: the spin-coupled point of view. Unknown Journal, 537-553. doi:10.1016/s1380-7323(99)80022-3
The spin-coupled description of aromatic, antiaromatic and nonaromatic systems (Journal article)
Cooper, D. L., Gerratt, J., & Raimondi, M. (1999). The spin-coupled description of aromatic, antiaromatic and nonaromatic systems. Unknown Journal, 503-518. doi:10.1016/s1380-7323(99)80020-x
Bent-bond versus separated-bond models: A spin-coupled survey for a few organic and inorganic systems (Journal article)
Ogliaro, F., Cooper, D. L., & Karadakov, P. B. (1999). Bent-bond versus separated-bond models: A spin-coupled survey for a few organic and inorganic systems. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 74(2), 223-229. doi:3.0.CO;2-1">10.1002/(SICI)1097-461X(1999)74:2<223::AID-QUA17>3.0.CO;2-1
DOI: 10.1002/(SICI)1097-461X(1999)74:2<223::AID-QUA17>3.0.CO;2-1
Ab initio study of charge transfer in low-energy Si³? collisions with helium (Journal article)
Stancil, P. C., Clarke, N. J., Zygelman, B., & Cooper, D. L. (1999). Ab initio study of charge transfer in low-energy Si3+ collisions with helium. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 32(6), 1523-1534. doi:10.1088/0953-4075/32/6/015
Ab initio modern valence bond theory (Journal article)
Raimondi, M., & Cooper, D. L. (1999). Ab initio modern valence bond theory. CORRELATION AND LOCALIZATION, 203, 105-120. Retrieved from http://gateway.webofknowledge.com/
J. Gerratt, 1938-1997 (Journal article)
Wilson, S., Raimondi, M., & Cooper, D. L. (1999). J. Gerratt, 1938-1997. International Journal of Quantum Chemistry, 74(2), 71-76. doi:3.0.co;2-5">10.1002/(sici)1097-461x(1999)74:2<71::aid-qua2>3.0.co;2-5
DOI: 10.1002/(sici)1097-461x(1999)74:2<71::aid-qua2>3.0.co;2-5
Visual Representations and Interpretations of Molecular Electronic Structure: The Survival and Re-emergence of Valence Bond Theory (Chapter)
Cooper, D. L. (1999). Visual Representations and Interpretations of Molecular Electronic Structure: The Survival and Re-emergence of Valence Bond Theory. In Visual Representations and Interpretations (pp. 131-138). Springer London. doi:10.1007/978-1-4471-0563-3_13
1998
Modern VB representations of CASSCF wave functions and the fully-variational optimization of modern VB wave functions using the CASVB strategy (Journal article)
Cooper, D. L., Thorsteinsson, T., & Gerratt, J. (1998). Modern VB representations of CASSCF wave functions and the fully-variational optimization of modern VB wave functions using the CASVB strategy. ADVANCES IN QUANTUM CHEMISTRY, VOL 32: QUANTUM SYSTEMS IN CHEMISTRY AND PHYSICS, PT II, 32, 51-67. doi:10.1016/S0065-3276(08)60406-2
Modern valence-bond description of chemical reaction mechanisms: the 1,3-dipolar addition of fulminic acid to ethyne (Journal article)
Karadakov, P. B., Cooper, D. L., & Gerratt, J. (1998). Modern valence-bond description of chemical reaction mechanisms: the 1,3-dipolar addition of fulminic acid to ethyne. THEORETICAL CHEMISTRY ACCOUNTS, 100(1-4), 222-229. doi:10.1007/s002140050383
Potential energy curves and ?/?R couplings for electron capture in low-energy collisions of silicon ions with helium and atomic hydrogen (Journal article)
Clarke, N. J., & Cooper, D. L. (1998). Potential energy curves and partial derivative/partial derivative R couplings for electron capture in low-energy collisions of silicon ions with helium and atomic hydrogen. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 94(22), 3295-3299. doi:10.1039/a804819c
The spin-coupled description of phenylenedimethylidene (Journal article)
Friis-Jensen, B., Cooper, D. L., Rettrup, S., & Karadakov, P. B. (1998). The spin-coupled description of phenylenedimethylidene. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 94(22), 3301-3305. doi:10.1039/a804983a
Modern valence bond descriptions of molecular excited states: An application of CASVB (Journal article)
Thorsteinsson, T., & Cooper, D. L. (1998). Modern valence bond descriptions of molecular excited states: An application of CASVB. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 70(4-5), 637-650. doi:3.0.CO;2-#">10.1002/(SICI)1097-461X(1998)70:4/5<637::AID-QUA10>3.0.CO;2-#
Classical and quantum dynamics on the collinear potential energy surface for the reaction of Li with H2 (Journal article)
Clarke, N. J., Sironi, M., Raimondi, M., Kumar, S., Gianturco, F. A., Buonomo, E., & Cooper, D. L. (1998). Classical and quantum dynamics on the collinear potential energy surface for the reaction of Li with H-2. CHEMICAL PHYSICS, 233(1), 9-27. doi:10.1016/S0301-0104(98)00131-1
Spin-coupled description of fluorocyclophosphazenes (NPF2)3, (NPF2)4, (NPF2)5 (Journal article)
Raimondi, M., Sironi, M., Gerratt, J., Cooper, D. L., & Karadakov, P. B. (1998). Spin-coupled description of fluorocyclophosphazenes (NPF2)(3), (NPF2)(4), (NPF2)(5). JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 94(11), 1541-1545. doi:10.1039/a708127h
Modern valence-bond description of chemical reaction mechanisms: Diels-Alder reaction (Journal article)
Karadakov, P. B., Cooper, D. L., & Gerratt, J. (1998). Modern valence-bond description of chemical reaction mechanisms: Diels-Alder reaction. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 120(16), 3975-3981. doi:10.1021/ja9741741
Liquid structure of halomethanes (Journal article)
Mort, K. A., Johnson, K. A., Cooper, D. L., Burgess, A. N., & Howells, W. S. (1998). Liquid structure of halomethanes. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 94(6), 765-770. doi:10.1039/a707272d
The biorthogonal method for optimizing modern valence bond wavefunctions (Journal article)
Thorsteinsson, T., & Cooper, D. L. (1998). The biorthogonal method for optimizing modern valence bond wavefunctions. MOLECULAR PHYSICS, 93(4), 663-674. doi:10.1080/002689798168998
Optimization of virtual orbitals in the framework of a multiconfiguration spin-coupled wave function (Journal article)
Clarke, N. J., Raimondi, M., Sironi, M., Gerratt, J., & Cooper, D. L. (1998). Optimization of virtual orbitals in the framework of a multiconfiguration spin-coupled wave function. THEORETICAL CHEMISTRY ACCOUNTS, 99(1), 8-17. doi:10.1007/s002140050297
Spin-coupled calculations based on projected spin eigenfunctions (Journal article)
Friis-Jensen, B., Cooper, D. L., & Rettrup, S. (1998). Spin-coupled calculations based on projected spin eigenfunctions. THEORETICAL CHEMISTRY ACCOUNTS, 99(1), 64-67. doi:10.1007/s002140050304
Ab initio study of charge transfer in low energy Si²? collisions with atomic hydrogen (Journal article)
Clarke, N. J., Stancil, P. C., Zygelman, B., & Cooper, D. L. (1998). Ab initio study of charge transfer in low energy Si2+ collisions with atomic hydrogen. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 31(3), 533-545. doi:10.1088/0953-4075/31/3/019
A quantum molecular similarity approach to anti-HIV activity (Journal article)
Measures, P. T., Mort, K. A., Cooper, D. L., & Allan, N. L. (1998). A quantum molecular similarity approach to anti-HIV activity. THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, 423(1-2), 113-123. doi:10.1016/S0166-1280(96)05020-8
Nonorthogonal weights of modern VB wavefunctions. Implementation and applications within CASVB (Journal article)
Thorsteinsson, T., & Cooper, D. L. (1998). Nonorthogonal weights of modern VB wavefunctions. Implementation and applications within CASVB. JOURNAL OF MATHEMATICAL CHEMISTRY, 23(1-2), 105-126. doi:10.1023/A:1019100703879
Quantum molecular similarity via momentum-space indices (Journal article)
Allan, N. L., & Cooper, D. L. (1998). Quantum molecular similarity via momentum-space indices. JOURNAL OF MATHEMATICAL CHEMISTRY, 23(1-2), 51-60. doi:10.1023/A:1019165023444
Spin-coupled theory (Chapter)
Gerratt, J., Cooper, D. L., Karadakov, P. B., & Raimondi, M. (1998). Spin-coupled theory. In P. Schleyer (Ed.), Encyclopaedia of Computational Chemistry (pp. 2672-2678). Chichester: John Wiley. Retrieved from http://www.wiley.com//legacy/wileychi/ecc/
1997
Fully variational optimization of modern VB wave functions using the CASVB strategy (Journal article)
Cooper, D. L., Thorsteinsson, T., & Gerratt, J. (1997). Fully variational optimization of modern VB wave functions using the CASVB strategy. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 65(5), 439-451. doi:3.0.CO;2-X">10.1002/(SICI)1097-461X(1997)65:5<439::AID-QUA8>3.0.CO;2-X
DOI: 10.1002/(SICI)1097-461X(1997)65:5<439::AID-QUA8>3.0.CO;2-X
Conrotatory and disrotatory pathways in the electrocyclic isomerization of cyclobutene to cis-butadiene: The spin-coupled viewpoint (Journal article)
Oliva, J. M., Gerratt, J., Karadakov, P. B., & Cooper, D. L. (1997). Conrotatory and disrotatory pathways in the electrocyclic isomerization of cyclobutene to cis-butadiene: The spin-coupled viewpoint. JOURNAL OF CHEMICAL PHYSICS, 107(21), 8917-8926. doi:10.1063/1.475183
Normalization of projected spin eigenfunctions (Journal article)
Friis-Jensen, B., Cooper, D. L., & Rettrup, S. (1997). Normalization of projected spin eigenfunctions. JOURNAL OF MATHEMATICAL CHEMISTRY, 22(2-4), 249-254. doi:10.1023/A:1019175931196
Antiferromagnetic spin couplings in cyclobutadiene chains (Journal article)
Raos, G., McNicholas, S. J., Gerratt, J., Cooper, D. L., & Karadakov, P. B. (1997). Antiferromagnetic spin couplings in cyclobutadiene chains. JOURNAL OF PHYSICAL CHEMISTRY B, 101(34), 6688-6691. doi:10.1021/jp971345f
Chemical bonding in oxofluorides of hypercoordinate sulfur (Journal article)
Cunningham, T. P., Cooper, D. L., Gerratt, J., Karadakov, P. B., & Raimondi, M. (1997). Chemical bonding in oxofluorides of hypercoordinate sulfur. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 93(13), 2247-2254. doi:10.1039/a700708f
Theoretical investigation of thiophene oligomers: A spin-coupled study (Journal article)
Forni, A., Sironi, M., Raimondi, M., Cooper, D. L., & Gerratt, J. (1997). Theoretical investigation of thiophene oligomers: A spin-coupled study. JOURNAL OF PHYSICAL CHEMISTRY A, 101(24), 4437-4443. doi:10.1021/jp970088b
The electronic structure of borabenzene: Combination of an aromatic p-sextet and a reactive s-framework (Journal article)
Karadakov, P. B., Ellis, M., & Gerratt, J. (1997). The electronic structure of borabenzene: Combination of an aromatic pi-sextet and a reactive sigma-framework. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 63(2), 441-449. Retrieved from http://gateway.webofknowledge.com/
DOI: 10.1002/(SICI)1097-461X(1997)63:2<441::AID-QUA15>3.0.CO;2-B
Spin-coupled valence bond study of the reaction between benzene and a methyl cation (Journal article)
Raos, G., Astorri, L., Raimondi, M., Cooper, D. L., Gerratt, J., & Karadakov, P. B. (1997). Spin-coupled valence bond study of the reaction between benzene and a methyl cation. JOURNAL OF PHYSICAL CHEMISTRY A, 101(15), 2886-2892. doi:10.1021/jp9629506
Modern valence bond theory (Journal article)
Gerratt, J., Cooper, D. L., Karadakov, P. B., & Raimondi, M. (1997). Modern valence bond theory. CHEMICAL SOCIETY REVIEWS, 26(2), 87-100. doi:10.1039/cs9972600087
Study of the electronic states of the allyl radical using spin-coupled valence bond theory (Journal article)
Oliva, J. M., Gerratt, J., Cooper, D. L., Karadakov, P. B., & Raimondi, M. (1997). Study of the electronic states of the allyl radical using spin-coupled valence bond theory. JOURNAL OF CHEMICAL PHYSICS, 106(9), 3663-3672. doi:10.1063/1.473460
State- and isotope-dependent charge transfer of N4? with atomic hydrogen in astrophysical and fusion plasmas (Journal article)
Stancil, P. C., Zygelman, B., Clarke, N. J., & Cooper, D. L. (1997). State- and isotope-dependent charge transfer of N4+ with atomic hydrogen in astrophysical and fusion plasmas. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 30(4), 1013-1026. doi:10.1088/0953-4075/30/4/020
The liquid structure of trifluoromethane (Journal article)
Mort, K. A., Johnson, K. A., Cooper, D. L., Burgess, A. N., & Howells, W. S. (1997). The liquid structure of trifluoromethane. MOLECULAR PHYSICS, 90(3), 415-424. doi:10.1080/002689797172534
Interaction forces and energy transfer dynamics of LiH (¹S?) and helium atoms .1. The ab initio evaluation of the lowest potential energy surface (Journal article)
Gianturco, F. A., Kumar, S., Pathak, S. K., Raimondi, M., Sironi, M., Gerratt, J., & Cooper, D. L. (1997). Interaction forces and energy transfer dynamics of LiH ((1)Sigma(+)) and helium atoms .1. The ab initio evaluation of the lowest potential energy surface. CHEMICAL PHYSICS, 215(2), 227-238. doi:10.1016/S0301-0104(96)00264-9
A New Approach to Valence Bond Calculations: CASVB (Chapter)
Thorsteinsson, T., Cooper, D. L., Gerratt, J., & Raimondi, M. (1997). A New Approach to Valence Bond Calculations: CASVB. In Quantum Systems in Chemistry and Physics. Trends in Methods and Applications (pp. 67-85). Springer Netherlands. doi:10.1007/978-94-011-4894-8_5
Ab initio study of charge transfer in low-energy collisions of Si4? with helium (Journal article)
Stancil, P. C., Zygelman, B., Clarke, N. J., & Cooper, D. L. (1997). Ab initio study of charge transfer in low-energy collisions of Si4+ with helium. PHYSICAL REVIEW A, 55(2), 1064-1068. doi:10.1103/PhysRevA.55.1064
Ab initio study of electron capture in low-energy collisions of N4? with hydrogen (Journal article)
Zygelman, B., Stancil, P. C., Clarke, N. J., & Cooper, D. L. (1997). Ab initio study of electron capture in low-energy collisions of N4+ with hydrogen. PHYSICAL REVIEW A, 56(1), 457-467. doi:10.1103/PhysRevA.56.457
Symmetry adaptation and the utilization of point group symmetry in valence bond calculations, including CASVB (Journal article)
Thorsteinsson, T., Cooper, D. L., Gerratt, J., & Raimondi, M. (1997). Symmetry adaptation and the utilization of point group symmetry in valence bond calculations, including CASVB. THEORETICA CHIMICA ACTA, 95(3-4), 131-150. doi:10.1007/BF02341697
Symmetry adaptation and the utilization of point group symmetry in valence bond calculations, including CASVB (Journal article)
Thorsteinsson, T., Cooper, D. L., Gerratt, J., & Raimondi, M. (1997). Symmetry adaptation and the utilization of point group symmetry in valence bond calculations, including CASVB. Theoretica Chimica Acta, 95(3), 131. doi:10.1007/s002140050189
(Journal article)
Thorsteinsson, T., Cooper, D. L., Gerratt, J., & Raimondi, M. (1997). Unknown Title. Molecular Engineering, 7(1/2), 67-85. doi:10.1023/a:1008270112260
1996
Making use of how quickly electrons move in molecules (Journal article)
Measures, P. T., Allan, N. L., & Cooper, D. L. (1996). Making use of how quickly electrons move in molecules. CHEMICKE LISTY, 90(4), 217-228. Retrieved from http://gateway.webofknowledge.com/
On the definitions of bond index and valence for correlated wave functions (Journal article)
Ponec, R., Uhlik, F., Cooper, D. L., & Jug, K. (1996). On the definitions of bond index and valence for correlated wave functions. CROATICA CHEMICA ACTA, 69(3), 933-940. Retrieved from http://gateway.webofknowledge.com/
Chemical bonding in oxohalides of hypercoordinate nitrogen and phosphorus (Journal article)
Cunningham, T. P., Cooper, D. L., Gerratt, J., Karadakov, P. B., & Raimondi, M. (1996). Chemical bonding in oxohalides of hypercoordinate nitrogen and phosphorus. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 60(1), 393-400. doi:3.3.CO;2-J">10.1002/(SICI)1097-461X(1996)60:1<393::AID-QUA38>3.3.CO;2-J
DOI: 10.1002/(SICI)1097-461X(1996)60:1<393::AID-QUA38>3.3.CO;2-J
Modern valence-bond description of the electronic structure of benzocyclobutadiene (Journal article)
Karadakov, P. B., Gerratt, J., Cooper, D. L., Raimondi, M., & Sironi, M. (1996). Modern valence-bond description of the electronic structure of benzocyclobutadiene. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 60(1), 545-552. doi:3.0.CO;2-6">10.1002/(SICI)1097-461X(1996)60:1<545::AID-QUA53>3.0.CO;2-6
DOI: 10.1002/(SICI)1097-461X(1996)60:1<545::AID-QUA53>3.0.CO;2-6
Momentum-space electron densities - Localized orbitals in hydrocarbons, boranes, and transition metal complexes (Journal article)
Measures, P. T., Allan, N. L., & Cooper, D. L. (1996). Momentum-space electron densities - Localized orbitals in hydrocarbons, boranes, and transition metal complexes. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 60(1), 579-592. doi:3.0.CO;2-2">10.1002/(SICI)1097-461X(1996)60:1<579::AID-QUA56>3.0.CO;2-2
DOI: 10.1002/(SICI)1097-461X(1996)60:1<579::AID-QUA56>3.0.CO;2-2
Optimized spin-coupled virtual orbitals (Journal article)
Raimondi, M., Sironi, M., Gerratt, J., & Cooper, D. L. (1996). Optimized spin-coupled virtual orbitals. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 60(1), 225-233. doi:3.0.CO;2-C">10.1002/(SICI)1097-461X(1996)60:1<225::AID-QUA24>3.0.CO;2-C
DOI: 10.1002/(SICI)1097-461X(1996)60:1<225::AID-QUA24>3.0.CO;2-C
The extraordinary electronic structure of N2S2 (Journal article)
Gerratt, J., McNicholas, S. J., Karadakov, P. B., Sironi, M., Raimondi, M., & Cooper, D. L. (1996). The extraordinary electronic structure of N2S2. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 118(27), 6472-6476. doi:10.1021/ja953994f
Pair populations and effective valencies from ab initio SCF and spin-coupled wave functions (Journal article)
Cooper, D. L., Ponec, R., Thorsteinsson, T., & Raos, G. (1996). Pair populations and effective valencies from ab initio SCF and spin-coupled wave functions. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 57(3), 501-518. doi:3.3.CO;2-G">10.1002/(SICI)1097-461X(1996)57:3<501::AID-QUA24>3.3.CO;2-G
DOI: 10.1002/(SICI)1097-461X(1996)57:3<501::AID-QUA24>3.3.CO;2-G
A modern valence bond approach for interatomic potentials (Journal article)
Cooper, D. L., & Thorsteinsson, T. (1996). A modern valence bond approach for interatomic potentials. PHILOSOPHICAL MAGAZINE B-PHYSICS OF CONDENSED MATTER STATISTICAL MECHANICS ELECTRONIC OPTICAL AND MAGNETIC PROPERTIES, 73(1), 175-189. doi:10.1080/13642819608239123
Exact transformations of CI spaces, VB representations of CASSCF wavefunctions and the optimization of VB wavefunctions (Journal article)
Thorsteinsson, T., & Cooper, D. L. (1996). Exact transformations of CI spaces, VB representations of CASSCF wavefunctions and the optimization of VB wavefunctions. THEORETICA CHIMICA ACTA, 94(4), 233-245. doi:10.1007/BF00186445
Modern valence bond representations of CASSCF wavefunctions (Journal article)
Thorsteinsson, T., Cooper, D. L., Gerratt, J., Karadakov, P. B., & Raimondi, M. (1996). Modern valence bond representations of CASSCF wavefunctions. THEORETICA CHIMICA ACTA, 93(6), 343-366. doi:10.1007/s002140050158
Momentum-space similarity: some recent applications (Chapter)
Measures, P. T., Allan, N. L., & Cooper, D. L. (1996). Momentum-space similarity: some recent applications. In R. Carbó-Dorca, & P. G. Mezey (Eds.), Advances in Molecular Similarity (Vol. 1, pp. 61-87). Greenwich, CT: JAI Press. Retrieved from http://www.elsevier.com/
1995
AROMATIC ELECTROPHILIC SUBSTITUTION - A MODERN VALENCE-BOND STUDY (Journal article)
RAOS, G., GERRATT, J., KARADAKOV, P. B., COOPER, D. L., & RAIMONDI, M. (1995). AROMATIC ELECTROPHILIC SUBSTITUTION - A MODERN VALENCE-BOND STUDY. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 91(22), 4011-4030. doi:10.1039/ft9959104011
MODERN VALENCE-BOND DESCRIPTION OF THE GROUND-STATE OF Li2? (Journal article)
PETCH, B., COOPER, D. L., GERRATT, J., KARADAKOV, P. B., & RAIMONDI, M. (1995). MODERN VALENCE-BOND DESCRIPTION OF THE GROUND-STATE OF LI-2(-). JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 91(21), 3751-3754. doi:10.1039/ft9959103751
MODERN VALENCE-BOND DESCRIPTION OF BONDING IN STRAINED 3-MEMBERED RINGS - CYCLOPROPANE, AZIRIDINE, ETHENE OXIDE, PHOSPHIRANE AND THIIRANE (Journal article)
KARADAKOV, P. B., GERRATT, J., COOPER, D. L., & RAIMONDI, M. (1995). MODERN VALENCE-BOND DESCRIPTION OF BONDING IN STRAINED 3-MEMBERED RINGS - CYCLOPROPANE, AZIRIDINE, ETHENE OXIDE, PHOSPHIRANE AND THIIRANE. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 341, 13-24. doi:10.1016/0166-1280(95)04241-W
BONDING IN YXXY DIHALIDES AND DIHYDRIDES OF DIOXYGEN AND DISULFUR (Journal article)
ALLERES, D. R., COOPER, D. L., CUNNINGHAM, T. P., GERRATT, J., KARADAKOV, P. B., & RAIMONDI, M. (1995). BONDING IN YXXY DIHALIDES AND DIHYDRIDES OF DIOXYGEN AND DISULFUR. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 91(19), 3357-3362. doi:10.1039/ft9959103357
MODERN VALENCE-BOND DESCRIPTION OF (CH3)4Li4 (Journal article)
COOPER, D. L., GERRATT, J., KARADAKOV, P. B., & RAIMONDI, M. (1995). MODERN VALENCE-BOND DESCRIPTION OF (CH3)(4)LI-4. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 91(19), 3363-3365. doi:10.1039/ft9959103363
THE UNUSUAL COORDINATION OF CARBON-ATOMS IN BICYCLIC 1,6-METHANO[10]ANNULENE - A MODERN VALENCE-BOND STUDY (Journal article)
SIRONI, M., RAIMONDI, M., COOPER, D. L., & GERRATT, J. (1995). THE UNUSUAL COORDINATION OF CARBON-ATOMS IN BICYCLIC 1,6-METHANO[10]ANNULENE - A MODERN VALENCE-BOND STUDY. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 338, 257-265. doi:10.1016/0166-1280(94)04065-Z
Applications of momentum-space similarity (Journal article)
MEASURES, P. T., MORT, K. A., ALLAN, N. L., & COOPER, D. L. (1995). APPLICATIONS OF MOMENTUM-SPACE SIMILARITY. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 9(4), 331-340. doi:10.1007/BF00125174
THE ELECTRONIC-STRUCTURE OF CYCLOOCTATETRAENE AND THE MODERN VALENCE-BOND UNDERSTANDING OF ANTIAROMATICITY (Journal article)
KARADAKOV, P. B., GERRATT, J., COOPER, D. L., & RAIMONDI, M. (1995). THE ELECTRONIC-STRUCTURE OF CYCLOOCTATETRAENE AND THE MODERN VALENCE-BOND UNDERSTANDING OF ANTIAROMATICITY. JOURNAL OF PHYSICAL CHEMISTRY, 99(25), 10186-10195. doi:10.1021/j100025a020
POPULATION ANALYSIS OF PAIR DENSITIES - A STUDY OF BASIS SET DEPENDENCE (Journal article)
PONEC, R., UHLIK, F., & COOPER, D. L. (1995). POPULATION ANALYSIS OF PAIR DENSITIES - A STUDY OF BASSIS SET DEPENDENCE. CROATICA CHEMICA ACTA, 68(1), 149-155. Retrieved from http://gateway.webofknowledge.com/
CATALYTIC CHEMISTRY OF FURAN AND THIOPHENE - AB-INITIO CALCULATIONS, USING THE SPIN-COUPLED VALENCE-BOND METHOD, OF THE INTERACTION OF FURAN AND THIOPHENE WITH A POSITIVELY CHARGED CENTER (Journal article)
MITCHELL, P. C. H., RAOS, G. M., KARADAKOV, P. B., GERRATT, J., & COOPER, D. L. (1995). CATALYTIC CHEMISTRY OF FURAN AND THIOPHENE - AB-INITIO CALCULATIONS, USING THE SPIN-COUPLED VALENCE-BOND METHOD, OF THE INTERACTION OF FURAN AND THIOPHENE WITH A POSITIVELY CHARGED CENTER. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 91(4), 749-758. doi:10.1039/ft9959100749
NEUTRON-DIFFRACTION PLUS MOLECULAR-DYNAMICS - A POWERFUL APPROACH FOR UNDERSTANDING LIQUID STRUCTURE (Journal article)
BURGESS, A. N., MORT, K. A., JOHNSON, K. A., COOPER, D. L., ROGERS, S. C., & HOWELLS, W. S. (1995). NEUTRON-DIFFRACTION PLUS MOLECULAR-DYNAMICS - A POWERFUL APPROACH FOR UNDERSTANDING LIQUID STRUCTURE. NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT, 354(1), 81-86. doi:10.1016/0168-9002(94)00930-9
MOMENTUM-SPACE ELECTRON-DENSITIES AND QUANTUM MOLECULAR SIMILARITY (Journal article)
ALLAN, N. L., & COOPER, D. L. (1995). MOMENTUM-SPACE ELECTRON-DENSITIES AND QUANTUM MOLECULAR SIMILARITY. MOLECULAR SIMILARITY I, 173, 85-111. Retrieved from http://gateway.webofknowledge.com/
Molecular similarity and momentum space (Chapter)
Cooper, D. L., & Allan, N. L. (1995). Molecular similarity and momentum space. In R. Carbó-Dorca (Ed.), Molecular Similarity and Reactivity: From Quantum Chemical to Phenomenological Approaches (Vol. 14, pp. 31-55). Dordrecht: Kluwer. Retrieved from http://www.springer.com/gb/book/9780792333098
SPINS - A COLLECTION OF ALGORITHMS FOR SYMBOLIC GENERATION AND TRANSFORMATION OF MANY-ELECTRON SPIN EIGENFUNCTIONS (Journal article)
KARADAKOV, P. B., GERRATT, J., COOPER, D. L., & RAIMONDI, M. (1995). SPINS - A COLLECTION OF ALGORITHMS FOR SYMBOLIC GENERATION AND TRANSFORMATION OF MANY-ELECTRON SPIN EIGENFUNCTIONS. THEORETICA CHIMICA ACTA, 90(1), 51-73. doi:10.1007/BF01119782
1994
CHEMICAL-BONDS - A TOPOLOGICAL CLASSIFICATION (Journal article)
COOPER, D. L. (1994). CHEMICAL-BONDS - A TOPOLOGICAL CLASSIFICATION. NATURE, 371(6499), 651-652. doi:10.1038/371651a0
SPIN CORRELATION IN p-ELECTRON SYSTEMS FROM SPIN-COUPLED WAVE-FUNCTION. II. FURTHER APPLICATIONS (Journal article)
RAOS, G., GERRATT, J., COOPER, D. L., & RAIMONDI, M. (1994). SPIN CORRELATION IN PI-ELECTRON SYSTEMS FROM SPIN-COUPLED WAVE-FUNCTION .2. FURTHER APPLICATIONS. CHEMICAL PHYSICS, 186(2-3), 251-273. doi:10.1016/0301-0104(94)00178-2
SPIN CORRELATION IN p-ELECTRON SYSTEMS FROM SPIN-COUPLED WAVE-FUNCTIONS. I. THEORY AND 1ST APPLICATIONS (Journal article)
RAOS, G., GERRATT, J., COOPER, D. L., & RAIMONDI, M. (1994). SPIN CORRELATION IN PI-ELECTRON SYSTEMS FROM SPIN-COUPLED WAVE-FUNCTIONS .1. THEORY AND 1ST APPLICATIONS. CHEMICAL PHYSICS, 186(2-3), 233-250. doi:10.1016/0301-0104(94)00177-4
STUDY OF THE ELECTRONIC STATES OF THE BENZENE MOLECULE USING SPIN-COUPLED VALENCE-BOND THEORY (Journal article)
DASILVA, E. C., GERRATT, J., COOPER, D. L., & RAIMONDI, M. (1994). STUDY OF THE ELECTRONIC STATES OF THE BENZENE MOLECULE USING SPIN-COUPLED VALENCE-BOND THEORY. JOURNAL OF CHEMICAL PHYSICS, 101(5), 3866-3887. doi:10.1063/1.467505
THE NATURE OF THE CARBON-CARBON BONDS IN CYCLOPROPANE AND CYCLOBUTANE - A COMPARISON BASED ON SPIN-COUPLED THEORY (Journal article)
KARADAKOV, P. B., GERRATT, J., COOPER, D. L., & RAIMONDI, M. (1994). THE NATURE OF THE CARBON-CARBON BONDS IN CYCLOPROPANE AND CYCLOBUTANE - A COMPARISON BASED ON SPIN-COUPLED THEORY. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 116(17), 7714-7721. doi:10.1021/ja00096a031
SPIN-COUPLED DESCRIPTION OF ORGANIC-REACTION PATHWAYS - THE CYCLOADDITION REACTION OF 2 ETHENE MOLECULES (Journal article)
KARADAKOV, P. B., GERRATT, J., COOPER, D. L., & RAIMONDI, M. (1994). SPIN-COUPLED DESCRIPTION OF ORGANIC-REACTION PATHWAYS - THE CYCLOADDITION REACTION OF 2 ETHENE MOLECULES. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 90(12), 1643-1651. doi:10.1039/ft9949001643
CHEMICAL BONDING TO HYPERCOORDINATE 2ND-ROW ATOMS - D-ORBITAL PARTICIPATION VERSUS DEMOCRACY (Journal article)
COOPER, D. L., CUNNINGHAM, T. P., GERRATT, J., KARADAKOV, P. B., & RAIMONDI, M. (1994). CHEMICAL BONDING TO HYPERCOORDINATE 2ND-ROW ATOMS - D-ORBITAL PARTICIPATION VERSUS DEMOCRACY. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 116(10), 4414-4426. doi:10.1021/ja00089a033
THE CALCULATION OF MOLECULAR RESPONSE PROPERTIES USING PERTURBED SPIN-COUPLED WAVE-FUNCTIONS .1. BASIC THEORY (Journal article)
HYAMS, P. A., GERRATT, J., COOPER, D. L., & RAIMONDI, M. (1994). THE CALCULATION OF MOLECULAR RESPONSE PROPERTIES USING PERTURBED SPIN-COUPLED WAVE-FUNCTIONS .1. BASIC THEORY. JOURNAL OF CHEMICAL PHYSICS, 100(6), 4408-4416. doi:10.1063/1.466271
THE CALCULATION OF MOLECULAR RESPONSE PROPERTIES USING PERTURBED SPIN-COUPLED WAVE-FUNCTIONS .2. POLARIZABILITY AND MAGNETIC-SUSCEPTIBILITY OF H2 AND LiH AS FUNCTIONS OF INTERNUCLEAR DISTANCE (Journal article)
HYAMS, P. A., GERRATT, J., COOPER, D. L., & RAIMONDI, M. (1994). THE CALCULATION OF MOLECULAR RESPONSE PROPERTIES USING PERTURBED SPIN-COUPLED WAVE-FUNCTIONS .2. POLARIZABILITY AND MAGNETIC-SUSCEPTIBILITY OF H-2 AND LIH AS FUNCTIONS OF INTERNUCLEAR DISTANCE. JOURNAL OF CHEMICAL PHYSICS, 100(6), 4417-4431. doi:10.1063/1.466272
SPIN-COUPLED STUDY OF THE ELECTRONIC-STRUCTURE OF POLYENYL RADICALS C3H5-C9H11 (Journal article)
KARADAKOV, P. B., GERRATT, J., RAOS, G., COOPER, D. L., & RAIMONDI, M. (1994). SPIN-COUPLED STUDY OF THE ELECTRONIC-STRUCTURE OF POLYENYL RADICALS C3H5-C9H11. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 116(5), 2075-2084. doi:10.1021/ja00084a053
VIBRATIONAL LEVELS IN THE N4?+H CHARGE-TRANSFER SYSTEM (Journal article)
JAMIESON, M. J., COOPER, D. L., & ZYGELMAN, B. (1994). VIBRATIONAL LEVELS IN THE N-4++H CHARGE-TRANSFER SYSTEM. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 27(4), L73-L78. doi:10.1088/0953-4075/27/4/002
SPIN-COUPLED VALENCE-BOND THEORY OF VAN DER WAALS SYSTEMS - APPLICATION TO LiH...He (Journal article)
MATIAS, M. A., RAIMONDI, M., TORNAGHI, E., COOPER, D. L., & GERRATT, J. (1994). SPIN-COUPLED VALENCE-BOND THEORY OF VAN-DER-WAALS SYSTEMS - APPLICATION TO LIH...HE. MOLECULAR PHYSICS, 83(1), 89-100. doi:10.1080/00268979400101091
THE COULSON-FISCHER PLUS r12 WAVE-FUNCTION FOR H2 (Journal article)
CLARKE, N. J., COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1994). THE COULSON-FISCHER PLUS R(12) WAVE-FUNCTION FOR H2. MOLECULAR PHYSICS, 81(4), 921-935. doi:10.1080/00268979400100611
1993
MOLECULAR SIMILARITY OF ANTI-HIV PHOSPHOLIPIDS (Journal article)
COOPER, D. L., MORT, K. A., ALLAN, N. L., KINCHINGTON, D., & MCGUIGAN, C. (1993). MOLECULAR SIMILARITY OF ANTI-HIV PHOSPHOLIPIDS. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 115(26), 12615-12616. doi:10.1021/ja00079a063
IONIC HALIDES AND OXIDES AT HIGH-PRESSURE - CALCULATED HUGONIOTS, ISOTHERMS AND THERMAL PRESSURES (Journal article)
ALLAN, N. L., BRAITHWAITE, M., COOPER, D. L., PETCH, B., & MACKRODT, W. C. (1993). IONIC HALIDES AND OXIDES AT HIGH-PRESSURE - CALCULATED HUGONIOTS, ISOTHERMS AND THERMAL PRESSURES. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 89(24), 4369-4374. doi:10.1039/ft9938904369
BENT VERSUS s-p BONDS IN ETHENE AND ETHYNE - THE SPIN-COUPLED POINT-OF-VIEW (Journal article)
KARADAKOV, P. B., GERRATT, J., COOPER, D. L., & RAIMONDI, M. (1993). BENT VERSUS SIGMA-PI-BONDS IN ETHENE AND ETHYNE - THE SPIN-COUPLED POINT-OF-VIEW. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 115(15), 6863-6869. doi:10.1021/ja00068a050
EXPANSION OF THE SPIN-COUPLED WAVE-FUNCTION IN SLATER DETERMINANTS (Journal article)
COOPER, D. L., GERRATT, J., RAIMONDI, M., SIRONI, M., & THORSTEINSSON, T. (1993). EXPANSION OF THE SPIN-COUPLED WAVE-FUNCTION IN SLATER DETERMINANTS. THEORETICA CHIMICA ACTA, 85(4), 261-270. doi:10.1007/BF01129116
Electronic Structure of Atoms and Molecules (Chapter)
Morrison, J. C., Weiss, A. W., Kirby, K., & Cooper, D. (n.d.). Electronic Structure of Atoms and Molecules. Wiley-VCH Verlag GmbH & Co. KGaA. doi:10.1002/3527600434.eap125
ON THE ROLE OF DIFFERENT SPIN BASES WITHIN SPIN-COUPLED THEORY (Journal article)
RAOS, G., GERRATT, J., COOPER, D. L., & RAIMONDI, M. (1993). ON THE ROLE OF DIFFERENT SPIN BASES WITHIN SPIN-COUPLED THEORY. MOLECULAR PHYSICS, 79(1), 197-216. doi:10.1080/00268979300101151
POTENTIAL CFC REPLACEMENTS - TROPHOSPHERIC LIFETIMES OF C3 HYDROFLUOROCARBONS AND HYDROFLUOROETHERS (Journal article)
COOPER, D. L., CUNNINGHAM, T. P., ALLAN, N. L., & MCCULLOCH, A. (1993). POTENTIAL CFC REPLACEMENTS - TROPHOSPHERIC LIFETIMES OF C3 HYDROFLUOROCARBONS AND HYDROFLUOROETHERS. ATMOSPHERIC ENVIRONMENT PART A-GENERAL TOPICS, 27(1), 117-119. doi:10.1016/0960-1686(93)90077-C
Predicted lifetimes of hydrofluorocarbons (HFCs) and hydrofluoroethers (HFEs) from simple correlations (Conference Paper)
Cooper, D. L., Cunningham, T. P., Allan, N. L., & McCulloch, A. (1993). Predicted lifetimes of hydrofluorocarbons (HFCs) and hydrofluoroethers (HFEs) from simple correlations. In Kinetics and Mechanisms for the Reactions of Halogenated Organic Compounds in the Troposphere (pp. 98-103). University College Dublin.
THE LOWEST SINGLET AND TRIPLET-STATES OF O-BENZYNE - SPIN-COUPLED INTERPRETATION OF THE ELECTRONIC-STRUCTURE AT CAS SCF EQUILIBRIUM GEOMETRIES (Journal article)
KARADAKOV, P. B., GERRATT, J., RAOS, G., COOPER, D. L., & RAIMONDI, M. (1993). THE LOWEST SINGLET AND TRIPLET-STATES OF O-BENZYNE - SPIN-COUPLED INTERPRETATION OF THE ELECTRONIC-STRUCTURE AT CAS SCF EQUILIBRIUM GEOMETRIES. ISRAEL JOURNAL OF CHEMISTRY, 33(3), 253-264. Retrieved from http://gateway.webofknowledge.com/
1992
CORE-VALENCE SEPARATION IN THE SPIN-COUPLED WAVE-FUNCTION - A FULLY VARIATIONAL TREATMENT BASED ON A 2ND-ORDER CONSTRAINED OPTIMIZATION PROCEDURE (Journal article)
KARADAKOV, P. B., GERRATT, J., COOPER, D. L., & RAIMONDI, M. (1992). CORE-VALENCE SEPARATION IN THE SPIN-COUPLED WAVE-FUNCTION - A FULLY VARIATIONAL TREATMENT BASED ON A 2ND-ORDER CONSTRAINED OPTIMIZATION PROCEDURE. JOURNAL OF CHEMICAL PHYSICS, 97(10), 7637-7655. doi:10.1063/1.463484
A MOMENTUM-SPACE APPROACH TO MOLECULAR SIMILARITY (Journal article)
ALLAN, N. L., & COOPER, D. L. (1992). A MOMENTUM-SPACE APPROACH TO MOLECULAR SIMILARITY. JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 32(6), 587-590. doi:10.1021/ci00010a003
CHARGE-TRANSFER OF N4? WITH ATOMIC-HYDROGEN (Journal article)
ZYGELMAN, B., COOPER, D. L., FORD, M. J., DALGARNO, A., GERRATT, J., & RAIMONDI, M. (1992). CHARGE-TRANSFER OF N-4+ WITH ATOMIC-HYDROGEN. PHYSICAL REVIEW A, 46(7), 3846-3854. doi:10.1103/PhysRevA.46.3846
SPIN-COUPLED DESCRIPTION OF CYCLOBUTADIENE AND 2,4-DIMETHYLENECYCLOBUTANE-1,3-DIYL - ANTIPAIRS (Journal article)
WRIGHT, S. C., COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1992). SPIN-COUPLED DESCRIPTION OF CYCLOBUTADIENE AND 2,4-DIMETHYLENECYCLOBUTANE-1,3-DIYL - ANTIPAIRS. JOURNAL OF PHYSICAL CHEMISTRY, 96(20), 7943-7952. doi:10.1021/j100199a024
CHEMICAL BONDING TO LITHIUM CLUSTERS - INTERACTION OF Li5 WITH H-ATOMS (Journal article)
RAIMONDI, M., TORNAGHI, E., COOPER, D. L., & GERRATT, J. (1992). CHEMICAL BONDING TO LITHIUM CLUSTERS - INTERACTION OF LI-5 WITH H-ATOMS. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 88(16), 2309-2314. doi:10.1039/ft9928802309
THE SPIN-COUPLED DESCRIPTION OF LITHIUM CLUSTERS .1. OPTIMAL GEOMETRICAL ARRANGEMENTS AND BODY-CENTERED-CUBIC FRAGMENTS (Journal article)
TORNAGHI, E., COOPER, D. L., GERRATT, J., RAIMONDI, M., & SIRONI, M. (1992). THE SPIN-COUPLED DESCRIPTION OF LITHIUM CLUSTERS .1. OPTIMAL GEOMETRICAL ARRANGEMENTS AND BODY-CENTERED-CUBIC FRAGMENTS. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 91, 383-410. doi:10.1016/0166-1280(92)87026-V
POPULATION OF LONG-LIVED VIBRATIONAL LEVELS OF CO - I¹S? AND D¹? (Journal article)
KIRBY, K., ROSENKRANTZ, M. E., & COOPER, D. L. (1992). POPULATION OF LONG-LIVED VIBRATIONAL LEVELS OF CO - I(1)SIGMA- AND D(1)DELTA. PHYSICAL REVIEW LETTERS, 68(26), 3865-3868. doi:10.1103/PhysRevLett.68.3865
MOLECULAR DISSIMILARITY - A MOMENTUM-SPACE CRITERION (Journal article)
COOPER, D. L., & ALLAN, N. L. (1992). MOLECULAR DISSIMILARITY - A MOMENTUM-SPACE CRITERION. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 114(12), 4773-4776. doi:10.1021/ja00038a048
POLAR SOLIDS AT HIGH-PRESSURE - NAF (Journal article)
ALLAN, N. L., BRAITHWAITE, M., COOPER, D. L., MACKRODT, W. C., & PETCH, B. (1992). POLAR SOLIDS AT HIGH-PRESSURE - NAF. MOLECULAR SIMULATION, 9(2), 161-169. doi:10.1080/08927029208050608
THE CALCULATED BEHAVIOUR OF PERICLASE (MGO) AT HIGH TEMPERATURES AND PRESSURES (Chapter)
ALLAN, N. L., BRAITHWAITE, M., COOPER, D. L., MACKRODT, W. C., & WRIGHT, S. C. (1992). THE CALCULATED BEHAVIOUR OF PERICLASE (MGO) AT HIGH TEMPERATURES AND PRESSURES. In Shock Compression of Condensed Matter–1991 (pp. 53-56). Elsevier. doi:10.1016/b978-0-444-89732-9.50011-x
TROPOSPHERIC LIFETIMES OF POTENTIAL CFC REPLACEMENTS - RATE COEFFICIENTS FOR REACTION WITH THE HYDROXYL RADICAL (Journal article)
COOPER, D. L., CUNNINGHAM, T. P., ALLAN, N. L., & MCCULLOCH, A. (1992). TROPOSPHERIC LIFETIMES OF POTENTIAL CFC REPLACEMENTS - RATE COEFFICIENTS FOR REACTION WITH THE HYDROXYL RADICAL. ATMOSPHERIC ENVIRONMENT PART A-GENERAL TOPICS, 26(7), 1331-1334. doi:10.1016/0960-1686(92)90393-Y
1991
THE SPIN-COUPLED DESCRIPTION OF LITHIUM CLUSTERS .2. PLANAR ARRANGEMENTS OF RHOMBUS UNITS (Journal article)
TORNAGHI, E., COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1991). THE SPIN-COUPLED DESCRIPTION OF LITHIUM CLUSTERS .2. PLANAR ARRANGEMENTS OF RHOMBUS UNITS. CROATICA CHEMICA ACTA, 64(3), 429-448. Retrieved from http://gateway.webofknowledge.com/
ELECTRONIC-STRUCTURE OF DIBORANE AND B3H8? - B-H-B BRIDGES AND CLOSED BBB BONDS (Journal article)
SIRONI, M., RAIMONDI, M., COOPER, D. L., & GERRATT, J. (1991). ELECTRONIC-STRUCTURE OF DIBORANE AND B3H8- - B-H-B BRIDGES AND CLOSED BBB BONDS. JOURNAL OF PHYSICAL CHEMISTRY, 95(26), 10617-10623. doi:10.1021/j100179a024
Ionic solids at high pressures and elevated temperatures: MgO (periclase) (Journal article)
ALLAN, N. L., BRAITHWAITE, M., COOPER, D. L., MACKRODT, W. C., & WRIGHT, S. C. (1991). IONIC SOLIDS AT HIGH-PRESSURES AND ELEVATED-TEMPERATURES - MGO (PERICLASE). JOURNAL OF CHEMICAL PHYSICS, 95(9), 6792-6799. doi:10.1063/1.461517
Theoretical studies of fluorocarbons, hydrofluorocarbons and hydrochlorofluorocarbons (Conference Paper)
Allan, N. L., Cooper, D. L., & Powell, R. L. (1991). Theoretical studies of fluorocarbons, hydrofluorocarbons and hydrochlorofluorocarbons. In Journal of Fluorine Chemistry Vol. 54 (pp. 229). Elsevier BV. doi:10.1016/s0022-1139(00)83739-2
APPLICATIONS OF SPIN-COUPLED VALENCE BOND THEORY (Journal article)
COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1991). APPLICATIONS OF SPIN-COUPLED VALENCE BOND THEORY. CHEMICAL REVIEWS, 91(5), 929-964. doi:10.1021/cr00005a014
HYBRIDS AND BOND FORMATION - EXCURSIONS IN MOMENTUM SPACE (Journal article)
COOPER, D. L., LOADES, S. D., & ALLAN, N. L. (1991). HYBRIDS AND BOND FORMATION - EXCURSIONS IN MOMENTUM SPACE. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 75, 189-196. Retrieved from http://gateway.webofknowledge.com/
ON THE BONDING IN B2H6 AND THE LONE PAIRS IN H2O - THE USE OF LOCALIZED MOLECULAR-ORBITALS IN SPIN-COUPLED CALCULATIONS (Journal article)
COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1991). ON THE BONDING IN B2H6 AND THE LONE PAIRS IN H2O - THE USE OF LOCALIZED MOLECULAR-ORBITALS IN SPIN-COUPLED CALCULATIONS. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 75, 155-162. Retrieved from http://gateway.webofknowledge.com/
THE AB-INITIO SPIN-COUPLED DESCRIPTION OF THE PROCESS HCN?CH+N (Journal article)
SIRONI, M., RAIMONDI, M., COOPER, D. L., & GERRATT, J. (1991). THE AB-INITIO SPIN-COUPLED DESCRIPTION OF THE PROCESS HCN-]CH+N. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 75, 279-289. Retrieved from http://gateway.webofknowledge.com/
1990
Corrigenda (Journal article)
Kubo, A., McDowell, C. A., Mavridis, A., Harrison, J. F., Cooper, D. L., Allan, N. L., & Grout, P. J. (1990). Corrigenda. Journal of the Chemical Society, Faraday Transactions, 86(9), 1625. doi:10.1039/ft9908601625
ORGANIC-REACTIVITY - NEW LIGHT ON OLD CONCEPTS (Journal article)
COOPER, D. L., ROBB, M. A., & WILLIAMS, I. H. (1990). ORGANIC-REACTIVITY - NEW LIGHT ON OLD CONCEPTS. CHEMISTRY IN BRITAIN, 26(11), 1085-1089. Retrieved from http://gateway.webofknowledge.com/
REACTIONS OF HYDROFLUOROCARBONS AND HYDROCHLOROFLUOROCARBONS WITH THE HYDROXYL RADICAL - REPLY (Journal article)
COOPER, D. L., & ALLAN, N. L. (1990). REACTIONS OF HYDROFLUOROCARBONS AND HYDROCHLOROFLUOROCARBONS WITH THE HYDROXYL RADICAL - REPLY. ATMOSPHERIC ENVIRONMENT PART A-GENERAL TOPICS, 24(10), 2703. doi:10.1016/0960-1686(90)90153-E
A molecular catastrophe (Journal article)
COOPER, D. L. (1990). CHEMICAL PHYSICS - A MOLECULAR CATASTROPHE. NATURE, 346(6287), 796-797. doi:10.1038/346796a0
AB INITIO SPIN-COUPLED DESCRIPTION OF THE REACTIONS CH2(¹A1)+H2?CH4 AND CH4?CH3(²A1')+H (Journal article)
SIRONI, M., COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1990). ABINITIO SPIN-COUPLED DESCRIPTION OF THE REACTIONS CH2(1A1)+H2-]CH4 AND CH4-]CH3(2A1')+H. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 112(13), 5054-5060. doi:10.1021/ja00169a009
THEORETICAL-STUDIES OF FLUOROCARBONS .2. FLUORINE AND CHLORINE SUBSTITUTED ALKANES (Journal article)
COOPER, D. L., WRIGHT, S. C., ALLAN, N. L., & WINTERTON, N. (1990). THEORETICAL-STUDIES OF FLUOROCARBONS .2. FLUORINE AND CHLORINE SUBSTITUTED ALKANES. JOURNAL OF FLUORINE CHEMISTRY, 47(3), 489-507. doi:10.1016/S0022-1139(00)82401-X
Ab initio predictions for silicon analogs of astrophysically interesting molecules: SiC2H2, SiH2CN, SiH2C2, and CH2CSi (Journal article)
Cooper, D. L. (1990). Ab initio predictions for silicon analogs of astrophysically interesting molecules: SiC2H2, SiH2CN, SiH2C2, and CH2CSi. ASTROPHYSICAL JOURNAL, 354(1), 229-231. doi:10.1086/168682
REACTIONS OF HYDROFLUOROCARBONS AND HYDROCHLOROFLUOROCARBONS WITH THE HYDROXYL RADICAL (Journal article)
COOPER, D. L., ALLAN, N. L., & MCCULLOCH, A. (1990). REACTIONS OF HYDROFLUOROCARBONS AND HYDROCHLOROFLUOROCARBONS WITH THE HYDROXYL RADICAL. ATMOSPHERIC ENVIRONMENT PART A-GENERAL TOPICS, 24(9), 2417-2419. doi:10.1016/0960-1686(90)90334-J
THE MODERN VB DESCRIPTIONS OF CH2, CH2?, SiH2, AND SiH2? (Journal article)
WRIGHT, S. C., COOPER, D. L., SIRONI, M., RAIMONDI, M., & GERRATT, J. (1990). THE MODERN VB DESCRIPTIONS OF CH2, CH2+, SIH2, AND SIH2+. JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, (3), 369-374. doi:10.1039/p29900000369
THE PRACTICAL CALCULATION OF INTERIONIC POTENTIALS IN SOLIDS USING ELECTRON GAS THEORY (Journal article)
Allan, N. L., Cooper, D. L., & Mackrodt, W. C. (1990). THE PRACTICAL CALCULATION OF INTERIONIC POTENTIALS IN SOLIDS USING ELECTRON GAS THEORY. MOLECULAR SIMULATION, 4(5), 269-283. doi:10.1080/08927029008022391
THE SPIN-COUPLED APPROACH TO ELECTRONIC STRUCTURE (Journal article)
Cooper, D. L., Gerratt, J., & Raimondi, M. (1990). THE SPIN-COUPLED APPROACH TO ELECTRONIC STRUCTURE. MOLECULAR SIMULATION, 4(5), 293-312. doi:10.1080/08927029008022393
THE SPIN-COUPLED VALENCE BOND DESCRIPTION OF BENZENOID AROMATIC-MOLECULES (Journal article)
COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1990). THE SPIN-COUPLED VALENCE BOND DESCRIPTION OF BENZENOID AROMATIC-MOLECULES. TOPICS IN CURRENT CHEMISTRY-SERIES, 153, 41-55. Retrieved from http://gateway.webofknowledge.com/
THEORETICAL-STUDIES OF FLUOROCARBONS .1. SMALL PERFLUOROALKANE MOLECULES (Journal article)
COOPER, D. L., ALLAN, N. L., & POWELL, R. L. (1990). THEORETICAL-STUDIES OF FLUOROCARBONS .1. SMALL PERFLUOROALKANE MOLECULES. JOURNAL OF FLUORINE CHEMISTRY, 46(2), 317-337. doi:10.1016/S0022-1139(00)80999-9
THEORETICAL-STUDIES OF FLUOROCARBONS .3. PRIMARY, SECONDARY, TERTIARY AND QUATERNARY CENTERS (Journal article)
COOPER, D. L., ALLAN, N. L., & POWELL, R. L. (1990). THEORETICAL-STUDIES OF FLUOROCARBONS .3. PRIMARY, SECONDARY, TERTIARY AND QUATERNARY CENTERS. JOURNAL OF FLUORINE CHEMISTRY, 49(3), 421-432. doi:10.1016/S0022-1139(00)85036-8
The spin-coupled valence bond theory of molecular electronic structure (Chapter)
Gerratt, J., Cooper, D. L., & Raimondi, M. (1990). The spin-coupled valence bond theory of molecular electronic structure. In D. J. Klein, & N. Trinajstic (Eds.), Valence bond theory and chemical structure (Vol. 64, pp. 287-349). Amsterdam: Elsevier.
1989
ELECTRONIC-STRUCTURE OF MONOMERIC METHYL-LITHIUM (Journal article)
PENOTTI, F. E. G., GERRATT, J., COOPER, D. L., & RAIMONDI, M. (1989). ELECTRONIC-STRUCTURE OF MONOMERIC METHYL-LITHIUM. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 85, 151-156. doi:10.1039/f29898500151
MOMENTUM SPACE STUDIES OF LARGE POLYENES (Journal article)
COOPER, D. L., ALLAN, N. L., & GROUT, P. J. (1989). MOMENTUM SPACE STUDIES OF LARGE POLYENES. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 85, 1519-1529. doi:10.1039/f29898501519
SPIN-COUPLED VALENCE BOND STUDY OF THE LITHIUM HYDRIDE ANION (Journal article)
FORD, M. J., COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1989). SPIN-COUPLED VALENCE BOND STUDY OF THE LITHIUM HYDRIDE ANION. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 85, 1713-1719. doi:10.1039/f29898501713
THE ELECTRONIC-STRUCTURE OF HETEROAROMATIC MOLECULES .3. A COMPARISON OF BENZENE, BORAZINE, AND BOROXINE (Journal article)
COOPER, D. L., WRIGHT, S. C., GERRATT, J., HYAMS, P. A., & RAIMONDI, M. (1989). THE ELECTRONIC-STRUCTURE OF HETEROAROMATIC MOLECULES .3. A COMPARISON OF BENZENE, BORAZINE, AND BOROXINE. JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, (6), 719-724. doi:10.1039/p29890000719
ON THE BONDING TO TRANSITION-METAL ATOMS IN LOW OXIDATION-STATES (Journal article)
LOADES, S. D., COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1989). ON THE BONDING TO TRANSITION-METAL ATOMS IN LOW OXIDATION-STATES. JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, (21), 1604-1606. doi:10.1039/c39890001604
Ab initio studies of small fluorocarbons (Conference Paper)
Allan, N. L., Powell, R. L., & Cooper, D. L. (1989). Ab initio studies of small fluorocarbons. In Journal of Fluorine Chemistry Vol. 45 (pp. 188). Elsevier BV. doi:10.1016/s0022-1139(00)84558-3
ON THE BONDING IN 2,4-DIMETHYLENECYCLOBUTANE-1,3-DIYL (Journal article)
WRIGHT, S. C., COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1989). ON THE BONDING IN 2,4-DIMETHYLENECYCLOBUTANE-1,3-DIYL. JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, (19), 1489-1491. doi:10.1039/c39890001489
A NOVEL-APPROACH TO MOLECULAR SIMILARITY (Journal article)
COOPER, D. L., & ALLAN, N. L. (1989). A NOVEL-APPROACH TO MOLECULAR SIMILARITY. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 3(3), 253-259. doi:10.1007/BF01533071
THE MODERN VALENCE BOND DESCRIPTION OF NAPHTHALENE (Journal article)
SIRONI, M., COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1989). THE MODERN VALENCE BOND DESCRIPTION OF NAPHTHALENE. JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, (11), 675-677. doi:10.1039/c39890000675
THEORETICAL-STUDY OF LOW-LYING ¹S? AND ¹? STATES OF CO .2. TRANSITION DIPOLE-MOMENTS, OSCILLATOR-STRENGTHS, AND RADIATIVE LIFETIMES (Journal article)
KIRBY, K., & COOPER, D. L. (1989). THEORETICAL-STUDY OF LOW-LYING 1-SIGMA+ AND 1-PI STATES OF CO .2. TRANSITION DIPOLE-MOMENTS, OSCILLATOR-STRENGTHS, AND RADIATIVE LIFETIMES. JOURNAL OF CHEMICAL PHYSICS, 90(9), 4895-4902. doi:10.1063/1.456584
Erratum (Journal article)
Erratum (1989). Chemical Physics Letters, 155(6), 624. doi:10.1016/0009-2614(89)87485-8
THE ELECTRONIC-STRUCTURE OF 1,3-DIPOLES - HYPERVALENT ATOMS (Journal article)
COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1989). THE ELECTRONIC-STRUCTURE OF 1,3-DIPOLES - HYPERVALENT ATOMS. JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, (8), 1187-1197. doi:10.1039/p29890001187
THE ELECTRONIC-STRUCTURE OF HETEROAROMATIC MOLECULES .1. 6-MEMBERED RINGS (Journal article)
COOPER, D. L., WRIGHT, S. C., GERRATT, J., & RAIMONDI, M. (1989). THE ELECTRONIC-STRUCTURE OF HETEROAROMATIC MOLECULES .1. 6-MEMBERED RINGS. JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, (3), 255-261. doi:10.1039/p29890000255
THE ELECTRONIC-STRUCTURE OF HETEROAROMATIC MOLECULES .2. 5-MEMBERED RINGS (Journal article)
COOPER, D. L., WRIGHT, S. C., GERRATT, J., & RAIMONDI, M. (1989). THE ELECTRONIC-STRUCTURE OF HETEROAROMATIC MOLECULES .2. 5-MEMBERED RINGS. JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, (3), 263-267. doi:10.1039/p29890000263
1988
THEORETICAL-STUDY OF THE (3ss)¹? RYDBERG STATE OF CO (Journal article)
COOPER, D. L., & KIRBY, K. (1988). THEORETICAL-STUDY OF THE (3S-SIGMA)PI-1 RYDBERG STATE OF CO. CHEMICAL PHYSICS LETTERS, 152(4-5), 393-396. doi:10.1016/0009-2614(88)80112-X
AB INITIO GEOMETRIES FOR C2n?1H,C2n?1H?, AND C2n?1H2 SPECIES FOR n=1,2,3 (Journal article)
COOPER, D. L., & MURPHY, S. C. (1988). ABINITIO GEOMETRIES FOR C2N+1H,C2N+1H+, AND C2N+1H2 SPECIES FOR N=1,2,3. ASTROPHYSICAL JOURNAL, 333(1), 482-490. doi:10.1086/166761
TOPOLOGICAL PARTITIONING OF ELECTRON-DENSITIES FROM SPIN-COUPLED WAVEFUNCTIONS (Journal article)
COOPER, D. L., & ALLAN, N. L. (1988). TOPOLOGICAL PARTITIONING OF ELECTRON-DENSITIES FROM SPIN-COUPLED WAVEFUNCTIONS. CHEMICAL PHYSICS LETTERS, 150(3-4), 287-293. doi:10.1016/0009-2614(88)80043-5
Computer-assisted learning in Chemistry (Chapter)
Chadwick, D. J., Cooper, D. L., Duce, P. P., Margerison, D., Walker, S. M., & Walton, T. W. (1988). Computer-assisted learning in Chemistry. In P. Barnetson (Ed.), The Research and Academic Users' Guide to the IBM Personal Computer (Vol. 2, pp. 42-59). Oxford: Oxford University Press.
SPIN-COUPLED VALENCE BOND THEORY (Journal article)
COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1988). SPIN-COUPLED VALENCE BOND THEORY. INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY, 7(1), 59-80. doi:10.1080/01442358809353205
SPIN-COUPLED VB STUDY OF THE DI-CATIONS OF METHANE, AMMONIA AND WATER (Journal article)
SIRONI, M., COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1988). SPIN-COUPLED VB STUDY OF THE DI-CATIONS OF METHANE, AMMONIA AND WATER. MOLECULAR PHYSICS, 65(1), 251-259. doi:10.1080/00268978800101001
THE AB INITIO SPIN-COUPLED DESCRIPTION OF METHANE - HYBRIDIZATION WITHOUT PRECONCEPTIONS (Journal article)
PENOTTI, F., GERRATT, J., COOPER, D. L., & RAIMONDI, M. (1988). THE AB INITIO SPIN-COUPLED DESCRIPTION OF METHANE - HYBRIDIZATION WITHOUT PRECONCEPTIONS. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 46, 421-436. Retrieved from http://gateway.webofknowledge.com/
VALENCE BOND CALCULATIONS OF THE DEGREE OF COVALENCY IN A C-X BOND - APPLICATION TO CH4 AND CH3Li (Journal article)
HIBERTY, P. C., & COOPER, D. L. (1988). VALENCE BOND CALCULATIONS OF THE DEGREE OF COVALENCY IN A C-X BOND - APPLICATION TO CH4 AND CH3LI. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 46, 437-446. Retrieved from http://gateway.webofknowledge.com/
1987
BOND FORMATION IN MOMENTUM SPACE (Journal article)
COOPER, D. L., & ALLAN, N. L. (1987). BOND FORMATION IN MOMENTUM SPACE. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 83, 449-460. doi:10.1039/f29878300449
LOCAL DENSITY APPROXIMATIONS AND MOMENTUM-SPACE PROPERTIES IN LIGHT MOLECULES AND IONIC SOLIDS (Journal article)
ALLAN, N. L., & COOPER, D. L. (1987). LOCAL DENSITY APPROXIMATIONS AND MOMENTUM-SPACE PROPERTIES IN LIGHT MOLECULES AND IONIC SOLIDS. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 83, 1675-1687. doi:10.1039/f29878301675
THE ELECTRONIC-STRUCTURE OF CH2 AND THE CYCLOADDITION REACTION OF METHYLENE WITH ETHENE (Journal article)
SIRONI, M., RAIMONDI, M., COOPER, D. L., & GERRATT, J. (1987). THE ELECTRONIC-STRUCTURE OF CH2 AND THE CYCLOADDITION REACTION OF METHYLENE WITH ETHENE. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 83, 1651-1661. doi:10.1039/f29878301651
THE ELECTRONIC-STRUCTURE OF THE BENZENE MOLECULE (Journal article)
GERRATT, J., RAIMONDI, M., & COOPER, D. L. (1987). THE ELECTRONIC-STRUCTURE OF THE BENZENE MOLECULE. NATURE, 329(6139), 492-493. doi:10.1038/329492b0
CALCULATION OF POTENTIAL-ENERGY CURVES FOR ELECTRON-CAPTURE BY C³? FROM NEUTRAL LITHIUM USING SPIN-COUPLED VB THEORY (Journal article)
BARNARD, S. A., FORD, M. J., COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1987). CALCULATION OF POTENTIAL-ENERGY CURVES FOR ELECTRON-CAPTURE BY C3+ FROM NEUTRAL LITHIUM USING SPIN-COUPLED VB THEORY. MOLECULAR PHYSICS, 61(5), 1193-1198. doi:10.1080/00268978700101731
STUDY OF THE SPECTRUM AND DECAY OF THE DOUBLY CHARGED WATER ION USING SPIN-COUPLED VALENCE BOND THEORY (Journal article)
COOPER, D. L., GERRATT, J., RAIMONDI, M., & SIRONI, M. (1987). STUDY OF THE SPECTRUM AND DECAY OF THE DOUBLY CHARGED WATER ION USING SPIN-COUPLED VALENCE BOND THEORY. JOURNAL OF CHEMICAL PHYSICS, 87(3), 1666-1676. doi:10.1063/1.453230
THE ELECTRONIC-STRUCTURE OF 1,3-DIPOLES - SPIN-COUPLED DESCRIPTIONS OF NITRONE AND DIAZOMETHANE (Journal article)
COOPER, D. L., GERRATT, J., RAIMONDI, M., & WRIGHT, S. C. (1987). THE ELECTRONIC-STRUCTURE OF 1,3-DIPOLES - SPIN-COUPLED DESCRIPTIONS OF NITRONE AND DIAZOMETHANE. CHEMICAL PHYSICS LETTERS, 138(4), 296-302. doi:10.1016/0009-2614(87)80387-1
THEORETICAL-STUDY OF LOW-LYING ¹S? STATES AND ¹? STATES OF CO .1. POTENTIAL-ENERGY CURVES AND DIPOLE-MOMENTS (Journal article)
COOPER, D. L., & KIRBY, K. (1987). THEORETICAL-STUDY OF LOW-LYING 1-SIGMA+-STATES AND 1-PI-STATES OF CO .1. POTENTIAL-ENERGY CURVES AND DIPOLE-MOMENTS. JOURNAL OF CHEMICAL PHYSICS, 87(1), 424-432. doi:10.1063/1.453587
MUTUAL NEUTRALIZATION AND CHEMIIONIZATION IN COLLISIONS OF ALKALI-METAL AND HALOGEN ATOMS (Journal article)
COOPER, D. L., BIENSTOCK, S., & DALGARNO, A. (1987). MUTUAL NEUTRALIZATION AND CHEMIIONIZATION IN COLLISIONS OF ALKALI-METAL AND HALOGEN ATOMS. JOURNAL OF CHEMICAL PHYSICS, 86(7), 3845-3851. doi:10.1063/1.451943
THE INTERPRETATION OF BINARY (E, 2E) SPECTROSCOPY USING SPIN-COUPLED THEORY (Journal article)
ALLAN, N. L., COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1987). THE INTERPRETATION OF BINARY (E, 2E) SPECTROSCOPY USING SPIN-COUPLED THEORY. JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 42(2), 127-148. doi:10.1016/0368-2048(87)85014-4
1986
AB INITIO INVESTIGATION OF LOW-LYING ²S? AND ²? STATES OF NO²? (Journal article)
COOPER, D. L. (1986). ABINITIO INVESTIGATION OF LOW-LYING SIGMA-(2)+ AND PI-2 STATES OF NO2+. CHEMICAL PHYSICS LETTERS, 132(4-5), 377-382. doi:10.1016/0009-2614(86)80629-7
THE ELECTRONIC-STRUCTURE OF THE BENZENE MOLECULE (Journal article)
COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1986). THE ELECTRONIC-STRUCTURE OF THE BENZENE MOLECULE. NATURE, 323(6090), 699-701. doi:10.1038/323699a0
POTENTIAL-ENERGY SURFACES FOR THE REACTION OF B?(¹S,³P) WITH H2 USING SPIN-COUPLED VB THEORY - ASYMPTOTIC REGIONS OF THE SURFACES (Journal article)
COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1986). POTENTIAL-ENERGY SURFACES FOR THE REACTION OF B+(S-1,P-3) WITH H2 USING SPIN-COUPLED VB THEORY - ASYMPTOTIC REGIONS OF THE SURFACES. CHEMICAL PHYSICS LETTERS, 127(6), 600-608. doi:10.1016/0009-2614(86)80616-9
MOMENTUM SPACE PROPERTIES AND LOCAL DENSITY APPROXIMATIONS IN SMALL MOLECULES - A CRITICAL-APPRAISAL (Journal article)
ALLAN, N. L., & COOPER, D. L. (1986). MOMENTUM SPACE PROPERTIES AND LOCAL DENSITY APPROXIMATIONS IN SMALL MOLECULES - A CRITICAL-APPRAISAL. JOURNAL OF CHEMICAL PHYSICS, 84(10), 5594-5605. doi:10.1063/1.449919
SPECTRUM AND DECAY OF THE DOUBLY CHARGED WATER ION (Journal article)
RICHARDSON, P. J., ELAND, J. H. D., FOURNIER, P. G., & COOPER, D. L. (1986). SPECTRUM AND DECAY OF THE DOUBLY CHARGED WATER ION. JOURNAL OF CHEMICAL PHYSICS, 84(6), 3189-3194. doi:10.1063/1.450808
AB INITIO VALENCE-BOND THEORY (Journal article)
RAIMONDI, M., GERRATT, J., & COOPER, D. L. (1986). ABINITIO VALENCE-BOND THEORY. PHYSICAL REVIEW A, 34(1), 673. doi:10.1103/PhysRevA.34.673
CALCULATION OF POTENTIAL-ENERGY CURVES FOR THE PROCESS C³?(²L)+H(¹S)?C²?(nl n'l' ¹L)+H? USING SPIN-COUPLED VALENCE-BOND THEORY (Journal article)
COOPER, D. L., FORD, M. J., GERRATT, J., & RAIMONDI, M. (1986). CALCULATION OF POTENTIAL-ENERGY CURVES FOR THE PROCESS C-3+(2L)+H(1S) -] C-2+ (NLN'L'-1L)+H+ USING SPIN-COUPLED VALENCE-BOND THEORY. PHYSICAL REVIEW A, 34(3), 1752-1756. doi:10.1103/PhysRevA.34.1752
1985
On the accuracy of the Breit-Pauli approximation for fine-structure intervals in light atoms: significance for molecular calculations (Journal article)
Cooper, D. L., Hata, J., & Grant, I. P. (1985). On the accuracy of the Breit-Pauli approximation for fine-structure intervals in light atoms: significance for molecular calculations. Journal of Physics B: Atomic and Molecular Physics, 18(24), 4805. doi:10.1088/0022-3700/18/24/519
SPIN-COUPLED VALENCE BOND STUDY OF LOW-LYING STATES OF LiHe (Journal article)
COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1985). SPIN-COUPLED VALENCE BOND STUDY OF LOW-LYING STATES OF LIHE. MOLECULAR PHYSICS, 56(3), 611-620. doi:10.1080/00268978500102551
DISTRIBUTED MULTIPOLE ANALYSIS FROM CHARGE PARTITIONING BY ZERO-FLUX SURFACES - THE STRUCTURE OF HF COMPLEXES (Journal article)
COOPER, D. L., & STUTCHBURY, N. C. J. (1985). DISTRIBUTED MULTIPOLE ANALYSIS FROM CHARGE PARTITIONING BY ZERO-FLUX SURFACES - THE STRUCTURE OF HF COMPLEXES. CHEMICAL PHYSICS LETTERS, 120(2), 167-172. doi:10.1016/0009-2614(85)87034-2
THE DIPOLE-MOMENT OF LiH(X¹S?) - SPIN-COUPLED VALENCE-BOND STUDY (Journal article)
COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1985). THE DIPOLE-MOMENT OF LIH(X-1-SIGMA+) - SPIN-COUPLED VALENCE-BOND STUDY. CHEMICAL PHYSICS LETTERS, 118(6), 580-584. doi:10.1016/0009-2614(85)85357-4
INCLUSION OF THE ELECTRON ANOMALY IN EFFECTIVE-HAMILTONIANS FOR PERTURBATIVE (BREIT-PAULI) AND NON-PERTURBATIVE APPROACHES TO FINE-STRUCTURE (Journal article)
HATA, J., COOPER, D. L., & GRANT, I. P. (1985). INCLUSION OF THE ELECTRON ANOMALY IN EFFECTIVE-HAMILTONIANS FOR PERTURBATIVE (BREIT-PAULI) AND NON-PERTURBATIVE APPROACHES TO FINE-STRUCTURE. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 18(10), 1907-1917. doi:10.1088/0022-3700/18/10/009
FINE-STRUCTURE SPLITTINGS IN THE BORON AND FLUORINE ISOELECTRONIC-SEQUENCES - COMPARISON OF PERTURBATIVE (BREIT-PAULI) AND NON-PERTURBATIVE (MCDF-EAL) PREDICTIONS (Journal article)
COOPER, D. L., HATA, J., & GRANT, I. P. (1985). FINE-STRUCTURE SPLITTINGS IN THE BORON AND FLUORINE ISOELECTRONIC-SEQUENCES - COMPARISON OF PERTURBATIVE (BREIT-PAULI) AND NON-PERTURBATIVE (MCDF-EAL) PREDICTIONS. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 18(6), 1081-1087. doi:10.1088/0022-3700/18/6/008
A 2-PHOTON PROCESS IN GASEOUS Na2 (Journal article)
COOPER, D. L., BARROW, R. F., VERGES, J., EFFANTIN, C., & DINCAN, J. (1985). A 2-PHOTON PROCESS IN GASEOUS NA-2. CHEMICAL PHYSICS LETTERS, 114(5-6), 483-485. doi:10.1016/0009-2614(85)85125-3
MCSCF STUDY OF THE SPIN-ORBIT COUPLING IN OH (X²?i) (Journal article)
COOPER, D. L. (1985). MCSCF STUDY OF THE SPIN ORBIT COUPLING IN OH (CHI-2PI-I). MOLECULAR PHYSICS, 54(2), 439-443. doi:10.1080/00268978500100341
AB INITIO COMPUTATION OF MOLECULAR SIMILARITY (Journal article)
BOWENJENKINS, P. E., COOPER, D. L., & RICHARDS, W. G. (1985). ABINITIO COMPUTATION OF MOLECULAR SIMILARITY. JOURNAL OF PHYSICAL CHEMISTRY, 89(11), 2195-2197. doi:10.1021/j100257a012
LOCAL DENSITY APPROXIMATIONS TO MOMENTS OF MOMENTUM OF DIATOMIC-MOLECULES WITH HARTREE-FOCK-ROOTHAAN QUALITY ELECTRON DISTRIBUTIONS (Journal article)
ALLAN, N. L., COOPER, D. L., WEST, C. G., GROUT, P. J., & MARCH, N. H. (1985). LOCAL DENSITY APPROXIMATIONS TO MOMENTS OF MOMENTUM OF DIATOMIC-MOLECULES WITH HARTREE-FOCK-ROOTHAAN QUALITY ELECTRON DISTRIBUTIONS. JOURNAL OF CHEMICAL PHYSICS, 83(1), 239-240. doi:10.1063/1.449814
THE GRADIENT EXPANSIONS OF THE KINETIC-ENERGY AND THE MEAN MOMENTUM FOR LIGHT DIATOMIC-MOLECULES (Journal article)
ALLAN, N. L., WEST, C. G., COOPER, D. L., GROUT, P. J., & MARCH, N. H. (1985). THE GRADIENT EXPANSIONS OF THE KINETIC-ENERGY AND THE MEAN MOMENTUM FOR LIGHT DIATOMIC-MOLECULES. JOURNAL OF CHEMICAL PHYSICS, 83(9), 4562-4564. doi:10.1063/1.449026
1984
LASER-EXCITED FLUORESCENCE OF THE (2)¹Su? DOUBLE-MINIMUM STATE OF Na2 STUDIED BY FOURIER-TRANSFORM SPECTROMETRY (Journal article)
COOPER, D. L., BARROW, R. F., VERGES, J., EFFANTIN, C., & DINCAN, J. (1984). LASER-EXCITED FLUORESCENCE OF THE (2) 1-SIGMAU+ DOUBLE-MINIMUM STATE OF NA-2 STUDIED BY FOURIER-TRANSFORM SPECTROMETRY. CANADIAN JOURNAL OF PHYSICS, 62(12), 1543-1562. doi:10.1139/p84-200
RADIATIVE CHARGE-TRANSFER AND RADIATIVE ASSOCIATION OF HELIUM-IONS WITH NEON ATOMS (Journal article)
COOPER, D. L., KIRBY, K., & DALGARNO, A. (1984). RADIATIVE CHARGE-TRANSFER AND RADIATIVE ASSOCIATION OF HELIUM-IONS WITH NEON ATOMS. CANADIAN JOURNAL OF PHYSICS, 62(12), 1622-1628. doi:10.1139/p84-208
STUDIES OF MOLECULAR-STATES USING SPIN-COUPLED VALENCE-BOND THEORY (Journal article)
COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1984). STUDIES OF MOLECULAR-STATES USING SPIN-COUPLED VALENCE-BOND THEORY. FARADAY SYMPOSIA OF THE CHEMICAL SOCIETY, (19), 149-163. Retrieved from http://gateway.webofknowledge.com/
ON THE ACCURACY OF THE BREIT-PAULI APPROXIMATION FOR FINE-STRUCTURE INTERVALS IN LIGHT-ATOMS - SIGNIFICANCE FOR MOLECULAR CALCULATIONS (Journal article)
COOPER, D. L., HATA, J., & GRANT, I. P. (1984). ON THE ACCURACY OF THE BREIT-PAULI APPROXIMATION FOR FINE-STRUCTURE INTERVALS IN LIGHT-ATOMS - SIGNIFICANCE FOR MOLECULAR CALCULATIONS. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 17(15), L499-L503. doi:10.1088/0022-3700/17/15/003
DOUBLE-MINIMUM (2)¹Su? STATE OF Na2 (Journal article)
VERGES, J., EFFANTIN, C., DINCAN, J., COOPER, D. L., & BARROW, R. F. (1984). DOUBLE-MINIMUM (2)1SIGMAU+-STATE OF NA2. PHYSICAL REVIEW LETTERS, 53(1), 46-47. doi:10.1103/PhysRevLett.53.46
ENERGY-TRANSFER IN OXYGEN HYDROGEN COLLISIONS (Journal article)
COOPER, D. L., YEE, J. H., & DALGARNO, A. (1984). ENERGY-TRANSFER IN OXYGEN HYDROGEN COLLISIONS. PLANETARY AND SPACE SCIENCE, 32(7), 825-830. doi:10.1016/0032-0633(84)90005-9
1983
CHARGE PARTITIONING BY ZERO-FLUX SURFACES - THE ACIDITIES AND BASICITIES OF SIMPLE ALIPHATIC-ALCOHOLS AND AMINES (Journal article)
STUTCHBURY, N. C. J., & COOPER, D. L. (1983). CHARGE PARTITIONING BY ZERO-FLUX SURFACES - THE ACIDITIES AND BASICITIES OF SIMPLE ALIPHATIC-ALCOHOLS AND AMINES. JOURNAL OF CHEMICAL PHYSICS, 79(10), 4967-4972. doi:10.1063/1.445590
THE USE OF UNIVERSAL EVEN-TEMPERED BASIS-SETS IN SPIN-COUPLED WAVEFUNCTIONS - THE ELECTRON-AFFINITY OF Li(²S) (Journal article)
COOPER, D. L., & GERRATT, J. (1983). THE USE OF UNIVERSAL EVEN-TEMPERED BASIS-SETS IN SPIN-COUPLED WAVEFUNCTIONS - THE ELECTRON-AFFINITY OF LI(S-2). JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 16(20), 3703-3712. doi:10.1088/0022-3700/16/20/007
Ab initio spin-orbit coupling constants for potential exotic interstellar molecules (Journal article)
Cooper, D. L. (1983). AB initio spin-orbit coupling constants for potential exotic interstellar molecules. The Astrophysical Journal, 265, 808. doi:10.1086/160726
Ab initio molecular orbital calculations for chemists (Book)
Richards, W. G., & Cooper, D. L. (1983). Ab initio molecular orbital calculations for chemists. Oxford University Press, USA.
THEORETICAL INVESTIGATION OF THE X²S? AND C²S? STATES OF BeH (Journal article)
COOPER, D. L. (1984). THEORETICAL INVESTIGATION OF THE X2-SIGMA+ AND C1-SIGMA+ STATES OF BEH. JOURNAL OF CHEMICAL PHYSICS, 80(5), 1961-1963. doi:10.1063/1.446957
THEORETICAL-STUDY OF AIH? - SPIN SPLITTING, CORE POLARIZATION, AND INTERSTELLAR CHEMISTRY (Journal article)
COOPER, D. L., BLACK, J. H., EVERARD, M. A. L., & RICHARDS, W. G. (1983). THEORETICAL-STUDY OF AIH+ - SPIN SPLITTING, CORE POLARIZATION, AND INTERSTELLAR CHEMISTRY. JOURNAL OF CHEMICAL PHYSICS, 78(3), 1371-1376. doi:10.1063/1.444876
UNIVERSAL EVEN-TEMPERED BASIS-SETS FOR NEGATIVE MOLECULAR-IONS (Journal article)
COOPER, D. L., & WILSON, S. (1983). UNIVERSAL EVEN-TEMPERED BASIS-SETS FOR NEGATIVE MOLECULAR-IONS. JOURNAL OF CHEMICAL PHYSICS, 78(5), 2456-2458. doi:10.1063/1.445049
1982
UNIVERSAL SYSTEMATIC SEQUENCE OF EVEN-TEMPERED EXPONENTIAL-TYPE FUNCTIONS IN ELECTRONIC-STRUCTURE STUDIES (Journal article)
COOPER, D. L., & WILSON, S. (1982). UNIVERSAL SYSTEMATIC SEQUENCE OF EVEN-TEMPERED EXPONENTIAL-TYPE FUNCTIONS IN ELECTRONIC-STRUCTURE STUDIES. JOURNAL OF CHEMICAL PHYSICS, 77(10), 5053-5057. doi:10.1063/1.443678
ABINITIO CALCULATION OF MOLECULAR SPIN-ORBIT-COUPLING CONSTANTS USING A UNIVERSAL EVEN-TEMPERED BASIS SET OF EXPONENTIAL FUNCTIONS (Journal article)
COOPER, D. L., & WILSON, S. (1982). ABINITIO CALCULATION OF MOLECULAR SPIN-ORBIT-COUPLING CONSTANTS USING A UNIVERSAL EVEN-TEMPERED BASIS SET OF EXPONENTIAL FUNCTIONS. JOURNAL OF CHEMICAL PHYSICS, 76(12), 6088-6090. doi:10.1063/1.442964
SPIN-ORBIT COUPLING AND SPIN SPLITTING IN HeNe? (Journal article)
COOPER, D. L. (1982). SPIN ORBIT COUPLING AND SPIN SPLITTING IN HENE+. JOURNAL OF CHEMICAL PHYSICS, 76(12), 6443-6444. doi:10.1063/1.443003
ACCIDENTAL PREDISSOCIATION IN LITHIUM DIMER - A THEORETICAL INVESTIGATION (Journal article)
COOPER, D. L., HUTSON, J. M., & UZER, T. (1982). ACCIDENTAL PREDISSOCIATION IN LITHIUM DIMER - A THEORETICAL INVESTIGATION. CHEMICAL PHYSICS LETTERS, 86(5-6), 472-476. doi:10.1016/0009-2614(82)80173-5
ABINITIO CALCULATION OF ATOMIC SPIN ORBIT COUPLING-CONSTANTS USING A UNIVERSAL SYSTEMATIC SEQUENCE OF EVEN-TEMPERED EXPONENTIAL-TYPE BASIS-SETS (Journal article)
COOPER, D. L., & WILSON, S. (1982). ABINITIO CALCULATION OF ATOMIC SPIN ORBIT COUPLING-CONSTANTS USING A UNIVERSAL SYSTEMATIC SEQUENCE OF EVEN-TEMPERED EXPONENTIAL-TYPE BASIS-SETS. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 15(4), 493-501. doi:10.1088/0022-3700/15/4/002
SPIN SPLITTING IN THE X²S? STATE OF MgH (Journal article)
COOPER, D. L. (1982). SPIN SPLITTING IN THE X2-SIGMA(+) STATE OF MGH. JOURNAL OF CHEMICAL PHYSICS, 76(7), 3692-3693. doi:10.1063/1.443407
SPIN-ORBIT-COUPLING CONSTANTS FOR THE ²E STATES OF CH3O AND CH3F? (Journal article)
COOPER, D. L. (1982). SPIN-ORBIT-COUPLING CONSTANTS FOR THE 2E STATES OF CH3O AND CH3F+. JOURNAL OF CHEMICAL PHYSICS, 76(5), 2765-2766. doi:10.1063/1.443228
THE SPIN ORBIT INTERACTION IN THE p*?n PHOSPHORESCENCE OF FORMALDEHYDE (Journal article)
COOPER, D. L., STUTCHBURY, N. C. J., & RICHARDS, W. G. (1982). THE SPIN ORBIT INTERACTION IN THE PI-STAR-]N PHOSPHORESCENCE OF FORMALDEHYDE. JOURNAL OF CHEMICAL PHYSICS, 76(9), 4671-4672. doi:10.1063/1.443548
UNIVERSAL SYSTEMATIC SEQUENCES OF EVEN-TEMPERED BASIS FUNCTIONS IN ELECTRONIC-STRUCTURE STUDIES OF NEGATIVE-IONS (Journal article)
COOPER, D. L., & WILSON, S. (1982). UNIVERSAL SYSTEMATIC SEQUENCES OF EVEN-TEMPERED BASIS FUNCTIONS IN ELECTRONIC-STRUCTURE STUDIES OF NEGATIVE-IONS. JOURNAL OF CHEMICAL PHYSICS, 77(9), 4551-4554. doi:10.1063/1.444404
1981
General discussion (Journal article)
Davies, P. B., Evenson, K. M., Brown, J. M., Coxon, J. A., Foster, S. C., Huston, J. M., . . . Jungen, C. (n.d.). General discussion. Faraday Discuss. Chem. Soc., 71(0), 301-368. doi:10.1039/dc9817100301
Spin-orbit coupling and ? doubling in NaAr (Journal article)
COOPER, D. L. (1981). SPIN-ORBIT-COUPLING AND LAMBDA-DOUBLING IN NAAR. JOURNAL OF CHEMICAL PHYSICS, 75(8), 4157-4159. doi:10.1063/1.442505
2ND-ORDER AND 3RD-ORDER ?-DOUBLING CONSTANTS IN SH (Journal article)
CHECKLAND, K., COOPER, D. L., & RICHARDS, W. G. (1981). 2ND-ORDER AND 3RD-ORDER LAMBDA-DOUBLING CONSTANTS IN SH. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 14(15), 2545-2549. doi:10.1088/0022-3700/14/15/013
THE NATURE OF THE A²? STATE IN BeF - ?-DOUBLING CONSTANTS (Journal article)
COOPER, D. L., PROSSER, S. J., & RICHARDS, W. G. (1981). THE NATURE OF THE A-2-PI-STATE IN BEF - LAMBDA-DOUBLING CONSTANTS. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 14(15), L487-L489. doi:10.1088/0022-3700/14/15/003
THEORETICAL-STUDY OF THE HCCS RADICAL (Journal article)
COOPER, D. L. (1981). THEORETICAL-STUDY OF THE HCCS RADICAL. CHEMICAL PHYSICS LETTERS, 81(3), 479-480. doi:10.1016/0009-2614(81)80445-9
Spin-orbit coupling in the butadiyne ion (Journal article)
COOPER, D. L. (1981). SPIN-ORBIT-COUPLING IN THE BUTADIYNE ION. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 14(12), L397-L399. doi:10.1088/0022-3700/14/12/002
SPIN-ORBIT-COUPLING IN CCN AND CNC (Journal article)
COOPER, D. L., & RICHARDS, W. G. (1981). SPIN-ORBIT-COUPLING IN CCN AND CNC. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 14(4), L131-L133. doi:10.1088/0022-3700/14/4/003
Spin splitting in BH? (Journal article)
COOPER, D. L., & RICHARDS, W. G. (1981). SPIN SPLITTING BH+. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 14(4), L127-L130. doi:10.1088/0022-3700/14/4/002
Ab initio calculation of higher order corrections to ? doubling and spin splitting in diatomic molecules (Journal article)
COOPER, D. L., & VESETH, L. (1981). ABINITIO CALCULATION OF HIGHER-ORDER CORRECTIONS TO LAMBDA- DOUBLING AND SPIN SPLITTING IN DIATOMIC-MOLECULES. JOURNAL OF CHEMICAL PHYSICS, 74(7), 3961-3964. doi:10.1063/1.441574
Direct summation over vibrational levels: ? doubling in HF? (Journal article)
HUTSON, J. M., & COOPER, D. L. (1981). DIRECT SUMMATION OVER VIBRATIONAL LEVELS - DELTA-DOUBLING IN HF+. JOURNAL OF CHEMICAL PHYSICS, 75(9), 4502-4506. doi:10.1063/1.442618
NOBLE-GAS MOLECULAR-IONS (Journal article)
COOPER, D. L., & WILSON, S. (1981). NOBLE-GAS MOLECULAR-IONS. MOLECULAR PHYSICS, 44(1), 161-172. doi:10.1080/00268978100102351
Spin-Orbit Coupling in Molecules (Book)
Richards, W. G., Trivedi, H. P., & Cooper, D. L. (1981). Spin-Orbit Coupling in Molecules. Oxford University Press.
Spin-orbit coupling effects in diatomic molecules (Thesis / Dissertation)
Cooper, D. L. (1981). Spin-orbit coupling effects in diatomic molecules. (University of Oxford).
THEORETICAL STUDY OF SiO2? (Journal article)
COOPER, D. L., & WILSON, S. (1981). THEORETICAL-STUDY OF SIO2-. MOLECULAR PHYSICS, 44(4), 799-802. doi:10.1080/00268978100102801
1980
SPIN DOUBLING IN CaH (Journal article)
COOPER, D. L., & RICHARDS, W. G. (1980). SPIN DOUBLING IN CAH. JOURNAL OF CHEMICAL PHYSICS, 73(2), 991-992. doi:10.1063/1.440751
SPIN-ORBIT-COUPLING AND LAMBDA-DOUBLING IN LIO (Journal article)
COPPER, D. L., & RICHARDS, W. G. (1980). SPIN-ORBIT-COUPLING AND LAMBDA-DOUBLING IN LIO. JOURNAL OF CHEMICAL PHYSICS, 73(7), 3515-3517. doi:10.1063/1.440512
SiH: ? doubling and "core polarization" (Journal article)
COOPER, D. L., & RICHARDS, W. G. (1981). SIH - LAMBDA-DOUBLING AND CORE POLARIZATION. JOURNAL OF CHEMICAL PHYSICS, 74(1), 96-98. doi:10.1063/1.440799