2022-2023

• "Magnetic shielding analysis of bonding in [1.1.1]propellane." P.B. Karadakov, B. Stewart and D.L. Cooper, J. Phys. Chem. A 127, 861-869 (2023).
• "Reassessing the composition of hybrid orbitals in contemporary VB calculations." D.L. Cooper, F.E. Penotti and P.B. Karadakov, J. Phys. Chem. A 127, 4949-4956 (2023).
• "Investigating István Mayer’s “improved” definitions of bond orders and free valence for correlated singlet-state wave functions." D.L. Cooper, R. Ponec and P.B. Karadakov, Int. J. Quantum Chem. 122, e26612 (2022).
• "Spin-coupled generalized valence bond theory: an appealing orbital theory of the electronic structure of atoms and molecules." T.H. Dunning, Jr., D.L. Cooper, L.T. Xu and P.B. Karadakov, in Comprehensive Computational Chemistry, ed. R.J. Boyd and M. Yáńez (Elsevier, published online).

2021

• "Spin-coupled generalized valence bond theory: new perspectives on the electronic structure of molecules and chemical bonds." T.H. Dunning, Jr., L.T. Xu, D.L. Cooper and P.B. Karadakov, J. Phys. Chem. A 125, 2021-2050 (2021).
• "Role of dynamical electron correlation in the differences in bonding between CaAlH₃ and MgAlH₃." F.E. Penotti, D.L. Cooper and P.B. Karadakov, J. Phys. Chem. A 125, 3912-3919 (2021).
• "VB and MO: Two powerful theories that nicely complement one another." J.M. Galbraith, S. Shaik, D. Danovich, B. Braďda, W. Wu, P. Hiberty, D.L. Cooper, P.B. Karadakov and T.H. Dunning, Jr, J. Chem. Educ. 98, 3617-3620 (2021).

2020

• "Nature of the chemical bonding in D_3h [MH₃M]⁺ cations (M = Be, Mg)." F.E. Penotti, D.L. Cooper, P.B. Karadakov and R. Ponec, Int. J. Quantum Chem. 120, e26183 (2020).
• "Resolving a puzzling anomaly in the spin-coupled generalized valence bond description of benzene." L.T. Xu, D.L. Cooper and T.H. Dunning, Jr., J. Comput. Chem. 41, 1421-1426 (2020).
• "Are multicentre bond indices and related quantities reliable predictors of excited-state aromaticity?" R. Ponec, D.L. Cooper and P.B. Karadakov, Molecules 25, 4791 (2020).
• "Excited-state aromaticity reversals in Möbius annulenes." P.B. Karadakov, M. Di and D.L. Cooper, J. Phys. Chem. A 124, 9611-9616 (2020).
• "Comparison of DAFH and FALDI-like approaches." D.L. Cooper, J. de Lange and R. Ponec, Theor. Chem. Acc. 139, 179 (2020).

2019

• "Is the S₂N₂ ring a singlet diradical? Critical analysis of alternative valence bond descriptions." F.E. Penotti, D.L. Cooper and P.B. Karadakov, Int. J. Quantum Chem. 119, e25845 (2019).
• "Nine questions on energy decomposition analysis." J. Andrés, P.W. Ayers, R.A. Boto, R. Carbó-Dorca, H. Chermette, J. Cioslowski, J. Contreras-Garcia, D.L. Cooper, G. Frenking, C. Gatti, F. Heidar-Zadeh, L. Joubert, Á. Martín Pendás, E. Matito, I. Mayer, A. Misquitta, Y. Mo, J. Pilmé, P.L.A. Popelier, M. Rahm, E. Ramos-Cordoba, P. Salvador, W.H.E. Schwarz, Sh. Shahbazian, B. Silvi, M. Solà, K. Szalewicz, V. Tognetti, F. Weinhold and É.-L. Zins, J. Comput. Chem. 40, 2248-2283 (2019).

2018

• "Surface tension, density and composition in the methane-pentane system at high pressure." J. Satherley, D.L. Cooper and D.J. Schiffrin, Fluid Phase Equilib. 456, 193-202 (2018).
• "Electronic structure and bonding situation in M₂O₂ (M = Be, Mg, Ca) rhombic clusters." W.-L. Li, J.-B. Lu, L. Zhao, R. Ponec, D.L. Cooper, J. Li and G. Frenking, J. Phys. Chem. A 122, 2816-2822 (2018).
• "Insights into molecular electronic structure from domain-averaged Fermi hole (DAFH) and bond order analysis using correlated density matrices." D.L. Cooper and R. Ponec, in Quantum Chemistry at the Dawn of the 21^st Century, ed. R. Carbó-Dorca and T. Chakraborty (Apple Academic Press, New Jersey, 2018).
• "Theoretical investigations of the chemical bonding in MM′O₂ clusters (M, M′ = Be, Mg, Ca)." R. Ponec and D.L. Cooper, J. Mol. Mod. 24, 226 (2018).
• "Study of the antimalarial activity of 4-aminoquinoline compounds against chloroquine-sensitive and chloroquine-resistant parasite strains." A.S. Lawrenson, D.L. Cooper, P.M. O'Neill and N.G. Berry, J. Mol. Mod. 24, 237 (2018).
• "Magnetic shielding, aromaticity, antiaromaticity and bonding in the low-lying electronic states of S₂N₂." P.B. Karadakov, M.A.H. Al-Yassiri and D.L. Cooper, Chem. Eur. J. 24, 16791-16803 (2018).
• "Does the electronic structure of Möbius annulenes follow Heilbronner's ideas?" P.B. Karadakov and D.L. Cooper, ChemPhysChem 19, 3186-3190 (2018).

2017

• "Insights from domain-averaged Fermi hole (DAFH) analysis and multicenter bond indices into the nature of Be(0) bonding." R. Ponec and D.L. Cooper, Struct. Chem. 28, 1033-1043 (2017).
• "Sensitive analysis of protein adsorption to colloidal gold by differential centrifugal sedimentation." A.M. Davidson, M. Brust, D.L. Cooper and M. Volk, Anal. Chem. 89, 6807-6814 (2017).
• "Modern valence-bond descriptions of polycyclic fused aromatic compounds involving cyclopropenyl rings." P.B. Karadakov and D.L. Cooper, Comput. Theor. Chem. 1116, 32-39 (2017).
• "Reassessing spin-coupled (full generalized valence bond) descriptions of ozone using three-center bond indices." D.L. Cooper, F.E. Penotti and R. Ponec, Comput. Theor. Chem. 1116, 40-49 (2017).

2016

• "Combining rival π-space descriptions of O₃ and of SO₂." F.E. Penotti and D.L. Cooper, Int. J. Quantum Chem. 116, 718-730 (2016).
• "New insights from domain-averaged Fermi holes and bond order analysis into the bonding conundrum in C₂." D.L. Cooper, R. Ponec and M. Kohout, Mol. Phys. 114, 1270-1284 (2016).
• "Modern valence-bond description of homoaromaticity." P.B. Karadakov and D.L. Cooper, J. Phys. Chem. A 120, 8769-8779 (2016).

2015

• "Six questions on topology in theoretical chemistry." P.L. Ayers, R.J. Boyd, P. Bultinck, M. Caffarel, R. Carbó-Dorca, M. Causá, J. Cioslowski, J. Contreras-Garcia, D.L. Cooper, P. Coppens, C. Gatti, S. Grabowsky, P. Lazzeretti, P. Macchi, Á.M Pendás, P.L.A. Popelier, K. Ruedenberg, H. Rzepa, A. Savin, A. Sax, W.H.E. Schwarz, S. Shahbazian, B. Silvi, M. Solà and V. Tsirelson, Comput. Theor. Chem. 1053, 2-16 (2015).
• "Why is the bond multiplicity in C₂ so elusive?" D.L. Cooper, F.E. Penotti and R. Ponec, Comput. Theor. Chem. 1053, 189-194 (2015).
• "Bonding in singlet and triplet butalene: insights from spin-coupled theory." D.L. Cooper, P.B. Karadakov and B.J. Duke, J. Phys. Chem. A 119, 2169-2175 (2015).
• "Are orbital-resolved shared-electron distribution indices and Cioslowski covalent bond orders useful for molecules?" D.L. Cooper, R. Ponec and M. Kohout, Mol. Phys. 113, 1682-1689 (2015).
• "Combining symmetry-separated and bent-bond spin-coupled models of cylindrically symmetric multiple bonding." F.E. Penotti and D.L. Cooper, Mol. Phys. 113, 1690-1694 (2015).
• "Three-dimensional networks containing rectangular Sr₄ and Ba₄ units: Synthesis, structure, bonding and potential application for Ne gas separation." S. Mandal, S. Pan, D. Deb, S. Giri, S. Duley, S. Radenković, D.L. Cooper, P. Bultinck, A. Anoop, M. Bhattacharjee and P.K. Chattaraj, Int. J. Quantum Chem. 115, 1501-1509 (2015).

2010-2014

• "Modern valence-bond description of aromatic annulene ions." P.B. Karadakov and D.L. Cooper. Theor. Chem. Acc. 133, 1421 (2014).
• "Bonding in benzodicyclobutadiene isomers: insights from modern valence bond theory." D.L. Cooper and P.B. Karadakov, Mol. Phys. 112, 2840-2852 (2014).
• "Bond formation in diatomic transition metal hydrides. Insights from the analysis of domain-averaged Fermi holes." D.L. Cooper and R. Ponec, Int. J. Quantum Chem. 113, 102-111 (2013).
• "High resolution sizing of monolayer protected gold clusters by differential centrifugal sedimentation." Ž. Krpetić, A.M. Davidson, M. Volk, R. Lévy, M. Brust and D.L. Cooper. ACS Nano 7, 8881-8890 (2013).
• "Spin-coupled theory for 'N electrons in M orbitals' active spaces." P.B. Karadakov, D.L. Cooper, B.J. Duke and J. Li, J. Phys. Chem. A 116, 7238-7244 (2012).
• "Variational second order density matrix study of F₃^–: Importance of subspace constraints for size-consistency." H. van Aggelen, B. Verstichel, P. Bultinck, D. Van Neck, P.W. Ayers and D.L. Cooper, J. Chem. Phys. 134, 054115 (2011).
• "Chemical verification of variational second order density matrix based potential energy surfaces for the N₂ isoelectronic series." H. Van Aggelen, B. Verstichel, P.W. Ayers, P. Bultinck, D.L. Cooper and D. Van Neck, J. Chem. Phys. 132, 114112 (2010).
• "The influence of atoms-in-molecules methods on shared-electron distribution indices and on domain-averaged Fermi hole analysis." P. Bultinck, D.L. Cooper and R. Ponec, J. Phys. Chem. A 114, 8754-8763 (2010).

2009

• "QSAR using momentum-space and trivial feature count descriptors – an application to Tetrahymena pyriformis toxicity." J.H.A. Al-Fahemi, D.L. Cooper and N.L. Allan, J. Mol. Struct. (THEOCHEM) 901, 56-59 (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)." P.B. Karadakov, D.L. Cooper and A. Uhe, Int. J. Quantum Chem. 109, 1807-1811 (2009).
• "Comparison of the Hirshfeld-I and Iterated Stockholder Atom Schemes." P. Bultinck, D.L. Cooper and D. Van Neck, Phys. Chem. Chem. Phys 11, 3424-3429 (2009).
• "Anatomy of Bond Formation. Insights from the Analysis of Domain-Averaged Fermi Holes in Momentum Space." D.L. Cooper and R. Ponec, Int. J. Quantum Chem. 109, 2383-2392 (2009).
• "Comparison between the performances of the spin-projected Hartree-Fock, generalized valence-bond and spin-coupled approaches." P.B. Karadakov and D.L. Cooper, Int. J. Quantum Chem. 109, 2447-2455 (2009).
• "Predictions of toxicity to Chlorella vulgaris and the use of momentum-space descriptors." [Predviđanje toksičnosti Chlorella vulgaris i korištenje impuls-prostor deskriptora.] J.H.A. Al-Fahemi, D.L. Cooper and N.L. Allan, Croat. Chem. Acta 82, 311-316 (2009).
• "Spin-coupled descriptions of organic reactivity." D.L. Cooper and P.B. Karadakov, Int. Rev. Phys. Chem. 28, 169-206 (2009).

2008

• "A one-electron approximation to domain-averaged Fermi hole analysis." D.L. Cooper and R. Ponec, Phys. Chem. Chem. Phys. 10, 1319-1329 (2008).
• "Analytic models of domain-averaged Fermi holes: A new tool for the study of the nature of chemical bonds." R. Ponec, D.L. Cooper and A. Savin, Chem. Eur. J. 14, 3338-3345 (2008).
• "The spin-coupled description of aromaticity in the retro Diels-Alder reaction of norbornene." J.G. Hill, D.L. Cooper and P.B. Karadakov, J. Phys. Chem. A 112, 12823-12828 (2008).

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." R. Ponec and D.L. Cooper, Faraday Discuss. 135, 31-42 (2007).
• "The unusual mechanism of the [1,5] hydrogen shift in (Z)-1,3-pentadiene predicted by modern valence bond theory." P.B. Karadakov, J.G. Hill and D.L. Cooper, Faraday Discuss. 135, 285-297 (2007).
• "Investigating the utility of momentum-space descriptors for predicting blood-brain barrier penetration." J.H.A. Al-Fahemi, D.L. Cooper and N.L. Allan, J. Mol. Graphics Mod. 26, 607-612 (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." R. Ponec and D.L. Cooper, J. Phys. Chem. A 111, 11294-11301 (2007).

2006

• "The electronic structure of nitrilimine: absence of the carbenic form." F. Cargnoni, G. Molteni, D.L. Cooper, M. Raimondi and A. Ponti, Chem. Commun. 1030-1032 (2006).
• "A spin-coupled study of the Claisen rearrangement of allyl vinyl ether." J.G. Hill, P.B. Karadakov and D.L. Cooper, Theor. Chem. Acc. 115, 212-220 (2006).
• "The spin-coupled picture of clamped benzenes." J.G. Hill, P.B. Karadakov and D.L. Cooper, Mol. Phys. 104, 677-680 (2006).
• "Modern VB-like representations of selected D_6h "aromatic" rings." J.G. Hill, D.L. Cooper and P.B. Karadakov, J. Phys. Chem. A 110, 7913-7917 (2006).

2005

• "Spin-coupled study of the electronic mechanism of the hetero-Diels-Alder reaction of acrolein and ethene." J.J. Blavins, D.L. Cooper and P.B. Karadakov, J. Phys. Chem. A 109, 231-235 (2005).
• "The use of momentum-space descriptors for predicting octanol-water partition coefficients." J.H. Al-Fahemi, D.L. Cooper and N.L. Allan, J. Mol. Struct. (THEOCHEM) 727, 57-61 (2005).
• "Anatomy of bond formation. Bond length dependence of the extent of electron sharing in chemical bonds." R. Ponec and D.L. Cooper, J. Mol. Struct. (THEOCHEM) 727, 133-138 (2005).
• "The quantitative use of momentum-space descriptors." J.H. Al-Fahemi, D.L. Cooper and N.L. Allan, Chem. Phys. Lett. 416, 376-380 (2005).

2004

• "Aromatic versus diradical character in the transition states of the Cope rearrangements of 1,5-hexadiene and its cyano derivatives." J.J. Blavins, D.L. Cooper and P.B. Karadakov, J. Phys. Chem. A 108, 194-202 (2004).
• "Modern valence bond description of the electronic mechanisms of S_N2 identity reactions." J.J. Blavins, D.L. Cooper and P.B. Karadakov, J. Phys. Chem. A 108, 914-920 (2004).
• "Generalized population analysis of three-centre two-electron bonding." R. Ponec and D.L. Cooper, Int. J. Quantum Chem. 97, 1002-1011 (2004).
• "Spin-coupled study of addition reactions of singlet dihalocarbenes with ethene." J.J. Blavins, D.L. Cooper and P.B. Karadakov, Int. J. Quantum Chem. 98, 465-472 (2004).
• "Vibrationally-resolved charge transfer of O³⁺ with molecular hydrogen." J.G. Wang, P.C. Stancil, A.R. Turner and D.L. Cooper, Phys. Rev. A 69, 062702 (2004).
• "Target isotope effects for vibrationally-resolved electron capture in low-energy collisions of O³⁺ with molecular hydrogen." P.C. Stancil, J.G. Wang, A.R. Turner and D.L. Cooper, Faraday Discuss. 127, 73-80 (2004).
• "Multicenter bonding and the structure of electron-rich orbital-deficient molecules. Model of three-center four-electron bonding reconsidered." R. Ponec, G. Yuzhakov and D.L. Cooper, Theor. Chem. Acc. 112, 419-430 (2004).

2003

• "Classification of reaction pathways via momentum-space and quantum molecular similarity measures." Ll. Amat, R. Carbó-Dorca, D.L. Cooper and N.L. Allan, Chem. Phys. Lett. 367, 207-213 (2003).
• "Valence bond theory: Determinantal methods." M. Sironi, D.L. Cooper and M. Raimondi, in Handbook of Molecular Physics and Quantum Chemistry, ed. S. Wilson (John Wiley, Chichester, 2003), Volume 2, Part 2, Chapter 11, pp 140-147.
• "Spin-coupled theory." J.Gerratt, D.L. Cooper, P.B. Karadakov and M. Raimondi in Handbook of Molecular Physics and Quantum Chemistry, ed. S. Wilson (John Wiley, Chichester, 2003), Volume 2, Part 2, Chapter 12, pp 148-168.
• "Valence bond theory: Other methods." D.L. Cooper, in Handbook of Molecular Physics and Quantum Chemistry, ed. S. Wilson (John Wiley, Chichester, 2003), Volume 2, Part 2, Chapter 13, pp 169-172.
• "Charge transfer of O³⁺ ions with atomic hydrogen." J.G. Wang, P.C. Stancil, A.R. Turner and D.L. Cooper, Phys. Rev. A 67, 012710 (2003).
• "Electron reorganization in chemical reactions. Structural changes from the analysis of bond order profiles." R. Ponec, G. Yuzhakov and D.L. Cooper, J. Phys. Chem. A 107, 2100-2105 (2003).
• "Modern Valence-Bond Description of Chemical Reaction Mechanisms: The 1,3-Dipolar Addition of Methyl Azide to Ethene." J.J. Blavins, P.B. Karadakov and D.L. Cooper, J. Phys. Chem. A 107, 2548-2559 (2003).
• "Ab initio study of charge transfer in B²⁺ low-energy collisions with atomic hydrogen." A.R. Turner, D.L. Cooper, J.G. Wang and P.C. Stancil, Phys. Rev. A 68, 012704 (2003).
• "Structure-property relationships and momentum-space quantities: Hammett σ–constants." Ll. Amat, R. Carbó-Dorca, D.L. Cooper, N.L. Allan and R. Ponec, Mol. Phys 101, 3159-3162 (2003).

2002

• "Low-energy charge transfer in multiply-charged ion-atom collisions studied with the combined SCVB-MOCC approach." D.L. Cooper, P.C. Stancil, A.R. Turner, J.G. Wang, N.J. Clarke and B. Zygelman, Int. J. Mol. Sci. 3, 220-229 (2002).
• "Modern valence bond description of gas-phase pericyclic reactions." D.L. Cooper, P.B. Karadakov and T. Thorsteinsson, in Valence Bond Theory ed. D.L. Cooper (Elsevier, Amsterdam, 2002); pp 41-53.
• "Recent developments of the SCVB method." M. Sironi, M. Raimondi, R. Martinazzo, F.A. Gianturco and D.L. Cooper, in Valence Bond Theory ed. D.L. Cooper (Elsevier, Amsterdam, 2002); pp 261-277.
• "Valence Bond Theory." ed. D.L. Cooper, Theoretical and Computational Chemistry, Vol. 10 (Elsevier, Amsterdam, 2002). ISBN: 0-444-50889-9
• "Electron capture in collisions of S⁴⁺ with helium." J.G. Wang, A.R. Turner, D.L. Cooper, D.R. Schultz, M.J. Raković, W. Fritsch, P.C. Stancil and B. Zygelman, J. Phys. B 35, 3137-3156 (2002).

2001

• "Symmetry-separated (σ+π) vs bent-bond (Ω) models of first-row transition-metal methylene cations." F. Ogliaro, S.D. Loades, D.L. Cooper and P.B. Karadakov, New Trends in Quantum Systems in Chemistry and Physics 1, 281-311 (Kluwer, Dordrecht, 2001).
• "Spin-coupled description of the chemical bonding to hypercoordinate chlorine." D.L. Cooper, Theor. Chem. Acc. 105, 323-327 (2001).
• "Semi-empirical valence bond models of conjugated alkenes with donor and acceptor substituents." J. Wu and D.L. Cooper, Phys. Chem. Chem. Phys. 3, 2419-2423 (2001).
• "Modern valence-bond description of chemical reaction mechanisms: the 1,3-dipolar addition of diazomethane to ethene." J.J. Blavins, P.B. Karadakov and D.L. Cooper, J. Org. Chem. 66, 4285-4292 (2001).
• "Electron capture in collisions of S⁴⁺ with atomic hydrogen." P.C. Stancil, A.R. Turner, D.L. Cooper, D.R. Schultz, M.J. Raković, W. Fritsch and B. Zygelman, J. Phys. B 34, 2481-2504 (2001).
• "Recent applications of spin-coupled valence bond theory to charge transfer collisions." D.L. Cooper, N.J. Clarke, P.C. Stancil and B. Zygelman, Adv. Quant. Chem. 40, 37-48 (2001).
• "Confronting modern valence bond theory with momentum-space quantum similarity and with pair density analysis." D.L. Cooper, N.L. Allan and P.B. Karadakov, in The fundamentals of molecular similarity ed. R. Carbó-Dorca (Kluwer/Plenum, New York, 2001); pp 169-85.
• "Silynes (RC≡SiR′) and Disilynes (RSi≡SiR′): Why Are Less Bonds Worth Energetically More?" D. Danovich, F. Ogliaro, M. Karni, Y. Apeloig, D.L. Cooper and S. Shaik, Angew. Chem. Int. Ed. 40, 4023-4026 (2001); Angew. Chem. Int. Ed. 43, 141 (2004).
• "Reply to comment 'Electronic reorganization in 1,3-dipolar cycloaddition of fulminic acid to acetylene.'" P.B. Karadakov and D.L. Cooper, J. Phys. Chem. A 105, 10946 (2001).

2000

• "An overview of the CASVB approach to modern valence bond calculations." T. Thorsteinsson and D.L. Cooper, in Quantum Systems in Chemistry and Physics. Volume 1: Basic problems and models systems ed. A. Hernández-Laguna, J. Maruani, R. McWeeny and S. Wilson (Kluwer, Dordrecht, 2000); pp 303-326.
• "Modern valence-bond description of the mechanisms of six-electron pericyclic reactions." P.B. Karadakov, D.L. Cooper, T. Thorsteinsson and J. Gerratt, in Quantum Systems in Chemistry and Physics. Volume 1: Basic problems and models systems ed. A. Hernández-Laguna, J. Maruani, R. McWeeny and S. Wilson (Kluwer, Dordrecht, 2000); pp 327-344.
• "Spin-coupled model of the bonding in first-row transition metal methylene monocations." F. Ogliaro, S.D. Loades, D.L. Cooper and P.B. Karadakov, J. Phys. Chem. A 104, 7091-7098 (2000).

1999

• "Visual representations and interpretations of molecular electronic structure: The survival and re-emergence of valence bond theory." D.L. Cooper, in Visual Representations and Interpretations, ed. I.E. Neilson and R.C. Paton (Springer, 1999), pp 131-138.
• "The spin-coupled description of aromatic, antiaromatic and nonaromatic systems." D.L. Cooper, J. Gerratt and M. Raimondi, in Pauling's Legacy - Modern Modelling of the Chemical Bond, ed. Ž.B. Maksić and W.J. Orville-Thomas (Elsevier, 1999).
• "Hypercoordinate bonding to main group elements: the spin-coupled point of view." D.L. Cooper, J. Gerratt and M. Raimondi, in Pauling's Legacy - Modern Modelling of the Chemical Bond, ed. Ž.B. Maksić and W.J. Orville-Thomas (Elsevier, 1999).
• "Ab initio study of charge transfer in low energy Si³⁺ collisions with helium." P.C. Stancil, N.J. Clarke, B. Zygelman and D.L. Cooper, J. Phys. B 32, 1523-1534 (1999).
• "Ab initio modern valence bond theory." M. Raimondi and D.L. Cooper, in Correlation and localization ed. P.R. Surján, Topics in Current Chemistry 203, 105-120 (1999).
• "J. Gerratt, 1938-1997." S. Wilson, M. Raimondi and D.L. Cooper, Int. J. Quantum Chem. 74, 71-81 (1999).
• "Bent-bond versus separated-bond models: A spin-coupled survey for a few organic and inorganic systems." F. Ogliaro, D.L. Cooper and P.B. Karadakov, Int. J. Quantum Chem. 74, 223-229 (1999).

1998

• "Ab initio study of charge transfer in low energy Si²⁺ collisions with atomic hydrogen." N.J. Clarke, P.C. Stancil, B. Zygelman and D.L. Cooper, J. Phys. B 31, 533-545 (1998).
• "A quantum molecular similarity approach to anti-HIV activity." P.T. Measures, K.A. Mort, D.L. Cooper and N.L. Allan, J. Mol. Struct. (THEOCHEM) 423, 113-123 (1998).
• "Optimization of virtual orbitals in the framework of a multiconfiguration spin-coupled wave function." N.J. Clarke, M. Raimondi, M. Sironi, J. Gerratt and D.L. Cooper, Theor. Chem. Acc. 99, 8-17 (1998).
• "Spin-coupled calculations based on projected spin eigenfunctions." B. Friis-Jensen, D.L. Cooper and S. Rettrup, Theor. Chem. Acc. 99, 64-67 (1998).
• "Liquid structure of halomethanes." K.A. Mort, K.A. Johnson, D.L. Cooper, A.N. Burgess and W.S. Howells, J. Chem. Soc. Faraday Trans. 94, 765-770 (1998).
• "The biorthogonal method for optimizing modern valence bond wavefunctions." T. Thorsteinsson and D.L. Cooper, Mol. Phys. 93, 663-674 (1998).
• "Modern valence-bond description of chemical reaction mechanisms: The Diels-Alder reaction." P.B. Karadakov, D.L. Cooper and J. Gerratt, J. Am. Chem. Soc. 120 3975-3981 (1998).
• "Spin-coupled description of fluorocyclophosphazenes: (NPF₂)₃, (NPF₂)₄, (NPF₂)₅." M. Raimondi, M. Sironi, J. Gerratt, D.L. Cooper and P.B. Karadakov, J. Chem. Soc. Faraday Trans. 94, 1541-1546 (1998).
• "Quantum molecular similarity via momentum-space indices." N.L. Allan and D.L. Cooper, J. Math. Chem. 23, 51-60 (1998).
• "Nonorthogonal weights of modern VB wavefunctions. Implementation and applications within CASVB." T. Thorsteinsson and D.L. Cooper, J. Math. Chem. 23, 105-126 (1998).
• "Classical and quantum dynamics on the collinear potential energy surface for the reaction of Li with H₂." N.J. Clarke, M. Sironi, M. Raimondi, S. Kumar, F.A. Gianturco, E. Buonomo and D.L. Cooper, Chem. Phys. 233, 9-27 (1998).
• "Potential energy curves and ∂/∂R couplings for electron capture in low-energy collisions of silicon ions with helium and atomic hydrogen." N.J. Clarke and D.L. Cooper, J. Chem. Soc. Faraday Trans. 94, 3295-3299 (1998).
• "The spin-coupled description of phenylenedimethylidene." B. Friis-Jensen, D.L. Cooper, S. Rettrup and P.B. Karadakov, J. Chem. Soc. Faraday Trans. 94, 3301-3305 (1998).
• "Modern valence bond descriptions of molecular excited states: An application of CASVB." T. Thorsteinsson and D.L. Cooper, Int. J. Quantum Chem. 70, 637-650 (1998).
• "Modern VB representations of CASSCF wave functions and the fully-variational optimization of modern VB wave functions using the CASVB strategy." D.L. Cooper, T. Thorsteinsson and J. Gerratt, Adv. Quantum Chem. 32, 51-67 (1998).
• "Modern valence-bond description of chemical reaction mechanisms: The 1,3-dipolar addition of fulminic acid to ethyne." P.B. Karadakov, D.L. Cooper and J. Gerratt, Theor. Chem. Acc. 100, 222-229 (1998).
• "Spin-coupled theory." J. Gerratt, D.L. Cooper, P.B. Karadakov and M. Raimondi, in Encyclopaedia of Computational Chemistry (John Wiley, 1998); pp 2672-2688.

1997

• "Symmetry adaptation and the utilization of point group symmetry in valence bond calculations, including CASVB." T. Thorsteinsson, D.L. Cooper, J. Gerratt and M. Raimondi, Theor. Chim. Acta 95, 131-150 (1997).
• "The liquid structure of trifluoromethane." K.A. Mort, K.A. Johnson, D.L. Cooper, A.N. Burgess and W.S. Howells, Mol. Phys. 90, 415-424 (1997).
• "Ab initio study of charge transfer in low energy collisions of Si⁴⁺ with helium." P.C. Stancil, B. Zygelman, N.J. Clarke and D.L. Cooper, Phys. Rev. A 55, 1064-1068 (1997).
• "Study of the electronic structure of the allyl radical using spin-coupled valence bond theory." J.M. Oliva, J. Gerratt, D.L. Cooper, P.B. Karadakov and M. Raimondi, J. Chem. Phys. 106, 3663-3672 (1997).
• "Interaction forces and energy transfer dynamics of LiH (¹Σ⁺) and helium atoms. I. The ab initio evaluation of the lowest potential energy surface." F.A. Gianturco, S. Kumar, S.K. Pathak, M. Raimondi, M. Sironi, J. Gerratt and D.L. Cooper Chem. Phys. 215, 227-238 (1997).
• "State- and isotope-dependent charge transfer of N⁴⁺ with atomic hydrogen in astrophysical and fusion plasmas." P.C. Stancil, B. Zygelman, N.J. Clarke and D.L. Cooper, J. Phys. B 30, 1013-1026 (1997).
• "Spin-coupled valence bond study of the reaction between benzene and a methyl cation." G. Raos, L. Astorri, M. Raimondi, D.L. Cooper, J. Gerratt and P.B. Karadakov, J. Phys. Chem. A 101, 2886-2892 (1997).
• "Modern valence bond theory." J. Gerratt, D.L. Cooper, P.B. Karadakov and M. Raimondi, Chem. Soc. Revs. 26, 87-100 (1997).
• "The electronic structure of borabenzene: combination of an aromatic π–sextet and a reactive σ–framework." P.B. Karadakov, M. Ellis, J. Gerratt, D.L. Cooper and M. Raimondi, Int. J. Quantum Chem. 63, 441-449 (1997).
• "Theoretical investigation of thiophene oligomers: A spin-coupled study." M. Sironi, A. Forni, M. Raimondi, D.L. Cooper and J. Gerratt, J. Phys. Chem. A 101, 4437-4443 (1997).
• "Ab-initio study of electron capture in low energy collisions of N⁴⁺ with hydrogen." B. Zygelman, P.C. Stancil, N.J. Clarke and D.L. Cooper, Phys. Rev. A 56, 457-467 (1997).
• "Chemical bonding in oxofluorides of hypercoordinate sulfur." T.P. Cunningham, D.L. Cooper, J. Gerratt, P.B. Karadakov and M. Raimondi, J. Chem. Soc., Faraday Trans. 93, 2247-2254 (1997).
• "Antiferromagnetic spin couplings in cyclobutadiene chains." G. Raos, S.J. McNicholas, J. Gerratt, D.L. Cooper and P.B. Karadakov, J. Phys. Chem. B 101, 6688-6691 (1997).
• "Conrotatory and disrotatory pathways in the electrocyclic isomerization of cyclobutene to cis-butadiene: the spin-coupled viewpoint." J.M. Oliva, J. Gerratt, P.B. Karadakov and D.L. Cooper, J. Chem. Phys. 107, 8917-8926 (1997).
• "A new approach to valence bond calculations: CASVB." T. Thorsteinsson, D.L. Cooper, J. Gerratt and M. Raimondi, in Quantum Systems in Chemistry and Physics: Trends in Methods and Applications ed. R. McWeeny, J. Maruani, Y.G. Smeyers and S. Wilson (Kluwer, 1997). Also published as: Molec. Eng. 7, 67-85 (1997).
• "Fully-variational optimization of modern VB wave functions using the CASVB strategy." D.L. Cooper, T. Thorsteinsson and J. Gerratt, Int. J. Quantum Chem. 65, 439-451 (1997).
• "Normalization of projected spin eigenfunctions." B. Friis-Jensen, D.L. Cooper and S. Rettrup, J. Math. Chem. 22, 249-254 (1997).

1996

• "A modern valence bond approach for interatomic potentials." D.L. Cooper, T. Thorsteinsson, M. Raimondi and J. Gerratt, Phil. Mag. B 73, 175-189 (1996).
• "Pair populations and effective valencies from ab initio SCF and spin-coupled wavefunctions." D.L. Cooper, R. Ponec, T. Thorsteinsson and G. Raos, Int. J. Quantum Chem. 57, 501-518 (1996).
• "Making use of how quickly electrons move in molecules." [K čemu je užitečné vědět, jak rychle se pohybují elektrony v molekulách.] P.T. Measures, N.L. Allan and D.L. Cooper, Chem. Listy 90, 217-228 (1996).
• "Modern valence bond representations of CASSCF wavefunctions." T. Thorsteinsson, D.L. Cooper, J. Gerratt, P.B. Karadakov and M. Raimondi, Theor. Chim. Acta 93, 343-366 (1996).
• "The extraordinary electronic structure of N₂S₂." J. Gerratt, S.J. McNicholas, P.B. Karadakov, M. Sironi, M. Raimondi and D.L. Cooper, J. Am. Chem. Soc. 118, 6472-6476 (1996).
• "Optimized spin-coupled virtual orbitals." M. Raimondi, M. Sironi, J. Gerratt and D.L. Cooper, Int. J. Quantum Chem. 60, 225-234 (1996).
• "Chemical bonding in oxohalides of hypercoordinate nitrogen and phosphorus." T.P. Cunningham, D.L. Cooper, J. Gerratt, P.B. Karadakov and M. Raimondi, Int. J. Quantum Chem. 60, 393-400 (1996).
• "Modern valence-Bond description of the electronic structure of benzocylobutadiene." P.B. Karadakov, J. Gerratt, D.L. Cooper, M. Raimondi and M. Sironi, Int. J. Quantum Chem. 60, 545-552 (1996).
• "Momentum-space electron densities - localised orbitals in hydrocarbons, boranes and transition metal complexes." P.T. Measures, N.L. Allan and D.L. Cooper Int. J. Quantum Chem. 60, 579-592 (1996).
• "Exact transformations of CI spaces, VB representations of CASSCF wavefunctions and the optimization of VB wavefunctions." T. Thorsteinsson and D.L. Cooper, Theor. Chim. Acta 94, 233-245 (1996).
• "On the definitions of bond bond index and valence for correlated wave functions." [O definicijama indeksa veze i valencije za korelirane valne funkcije.] R. Ponec, F. Uhlík, D.L. Cooper and K. Jug, Croat. Chem. Acta 69, 933-940 (1996).
• "Momentum-space similarity: some recent applications." P.T. Measures, N.L. Allan and D.L. Cooper, in Advances in Molecular Similarity. Vol. 1 ed. R. Carbó-Dorca and P.G. Mezey (JAI Press, Greenwich, CT, 1996), pages 61-87.

1995

• "SPINS: A collection of algorithms for symbolic generation and transformation of many-electron spin eigenfunctions." P.B. Karadakov, J. Gerratt, D.L. Cooper and M. Raimondi, Theor. Chim. Acta 90, 51-73 (1995).
• "Catalytic chemistry of furan and thiophene. Ab initio calculations using the spin-coupled valence bond method of the interaction between furan and thiophene and a positively-charged centre." P.C.H. Mitchell, G.M. Raos, P.B. Karadakov, J. Gerratt and D.L. Cooper, J. Chem. Soc., Faraday Trans. 91, 749-759 (1995).
• "Momentum-space electron densities and quantum molecular similarity." N.L. Allan and D.L. Cooper, in Molecular similarity ed. K.D. Sen, Top. Curr. Chem. 173, 85-111 (1995).
• "Neutron diffraction plus molecular dynamics: a powerful approach for understanding liquid structure." A.N. Burgess, K.A. Mort, K.A. Johnson, D.L. Cooper, S.C. Rogers and W.S. Howells, Nucl. Instrum. Methods Phys. Res. A 354, 81-86 (1995).
• "Population analysis of pair densities: a study of basis set dependence." [Populacijska analiza gustoće parova - ovisnost o raznom skupu.] R. Ponec, F. Uhlík and D.L. Cooper, Croat. Chem. Acta 68, 149-155 (1995).
• "The electronic structure of cyclooctatetraene and the modern valence-bond understanding of antiaromaticity." P.B. Karadakov, J. Gerratt, D.L. Cooper and M. Raimondi, J. Phys. Chem. 99, 10186-10195 (1995).
• "Molecular similarity and momentum space." D.L. Cooper and N.L. Allan, in Molecular Similarity and Reactivity: From Quantum Chemical to Phenomenological Approaches, ed. R. Carbó-Dorca (Kluwer Academic Publishers, Netherlands, 1995), pages 31-55.
• "Modern valence-bond description of bonding in strained three-membered rings: cyclopropane, aziridine, ethene oxide, phosphirane and thiirane." P.B. Karadakov, J. Gerratt, D.L. Cooper and M. Raimondi, J. Mol. Struct. (THEOCHEM) 341, 13-25 (1995).
• "Applications of momentum-space similarity." P.T. Measures, K.A. Mort, N.L. Allan and D.L. Cooper, J. Comput.-Aided Mol. Design 9, 331-340 (1995).
• "Bonding in YXXY dihalides and dihydrides of dioxygen and disulfur." D.R. Alleres, D.L. Cooper, T.P. Cunningham, J. Gerratt, P.B. Karadakov and M. Raimondi, J. Chem. Soc., Faraday Trans. 91, 3357-3362 (1995).
• "Modern valence bond description of (CH₃)₄(Li)₄." D.L. Cooper, J. Gerratt, P.B. Karadakov and M. Raimondi, J. Chem. Soc., Faraday Trans. 91, 3363-3365 (1995).
• "The unusual coordination of carbon atoms in bicyclic 1,6-methano[10]annulene: A modern valence bond study." M. Sironi, M. Raimondi, D.L. Cooper and J. Gerratt, J. Mol. Struct. (THEOCHEM) 338, 257-265 (1995).
• "Modern valence bond description of the ground state of Li₂^–." B. Petch D.L. Cooper, J. Gerratt, P.B. Karadakov and M. Raimondi, J. Chem. Soc., Faraday Trans. 91, 3751-3754 (1995).
• "Aromatic electrophilic substitution: A modern valence bond study." G. Raos, J. Gerratt, P.B. Karadakov, D.L. Cooper and M. Raimondi, J. Chem. Soc., Faraday Trans. 91, 4011-4030 (1995).

1994

• "Vibrational levels in the N⁴⁺ + H charge transfer system." M.J. Jamieson, D.L. Cooper and B. Zygelman, J. Phys. B 27, L73-L78 (1994).
• "The Coulson-Fischer+r₁₂ wavefunction for H₂." N.J. Clarke, D.L. Cooper, J. Gerratt and M. Raimondi, Mol. Phys. 81, 921-935 (1994).
• "Spin-coupled study of the electronic structure of polyenyl radicals: C₃H₅-C₉H₁₁." P.B. Karadakov, J. Gerratt, G. Raos, D.L. Cooper and M. Raimondi, J. Am. Chem. Soc. 116, 2075-2084 (1994).
• "The calculation of molecular response properties using perturbed spin-coupled wave functions. I. Basic theory." P.A. Hyams, J. Gerratt, D.L. Cooper and M. Raimondi, J. Chem. Phys. 100, 4408-4416 (1994).
• "The calculation of molecular response properties using perturbed spin-coupled wave functions. II. Applications to the H₂ and LiH molecules." P.A. Hyams, J. Gerratt, D.L. Cooper and M. Raimondi, J. Chem. Phys. 100, 4417-4431 (1994).
• "Chemical bonding to hypercoordinate second-row atoms: d orbital participation versus democracy." D.L. Cooper, T.P. Cunningham, J. Gerratt, P.B. Karadakov and M. Raimondi, J. Am. Chem. Soc. 116, 4414-4426 (1994).
• "Spin-coupled description of organic reaction pathways: the cycloaddition reaction of two ethene molecules." P.B. Karadakov, J. Gerratt, D.L. Cooper and M. Raimondi, J. Chem. Soc., Faraday Trans. 90, 1643-1651 (1994).
• "Study of the electronic states of the benzene molecule using spin-coupled VB theory." E.C. da Silva, J. Gerratt, D.L. Cooper and M. Raimondi, J. Chem. Phys. 101, 3866-3867 (1994).
• "The nature of the carbon-carbon bonds in cyclopropane and cyclobutane: A comparison based on spin-coupled theory." P.B. Karadakov, J. Gerratt, D.L. Cooper and M. Raimondi, J. Am. Chem. Soc. 116, 7714-7721 (1994).
• "Spin correlation in π-electron systems from spin-coupled wavefunctions. Part I: Theory and first applications." G. Raos, J. Gerratt, D.L. Cooper and M. Raimondi, Chem. Phys. 186, 233-250 (1994).
• "Spin correlation in π-electron systems from spin-coupled wavefunctions. Part II: Further applications." G. Raos, J. Gerratt, D.L. Cooper and M. Raimondi, Chem. Phys. 186, 251-273 (1994).
• "Chemical bonds: A topological classification." D.L. Cooper, Nature 371, 651-652 (1994).
• "Spin-coupled valence bond theory of van der Waals systems: application to LiH...He." M.A. Matías, M. Raimondi, E. Tornaghi, D.L. Cooper and J. Gerratt, Mol. Phys. 83, 89-100 (1994).

1993

• "Potential CFC replacements: tropospheric lifetimes of C₃ hydrofluorocarbons and hydrofluoroethers." D.L. Cooper, T.P. Cunningham, N.L. Allan and A. McCulloch, Atmos. Environ. 27A, 117-119 (1993).
• "Expansion of the spin-coupled wavefunction in Slater determinants." D.L. Cooper, J. Gerratt, M. Raimondi, M. Sironi and T. Thorsteinsson, Theor. Chim. Acta 85, 261-270 (1993).
• "On the role of different spin bases within spin-coupled theory." G. Raos, J. Gerratt, D.L. Cooper and M. Raimondi, Mol. Phys. 79, 197-216 (1993).
• "Bent versus σ–π bonds in ethene and ethyne: the spin-coupled point of view." P.B. Karadakov, J. Gerratt, D.L. Cooper and M. Raimondi, J. Am. Chem. Soc. 115, 6863-6869 (1993).
• "Predicted lifetimes of hydrofluorocarbons (HFCs) and hydrofluoroethers (HFEs) from simple correlations." D.L. Cooper, T.P. Cunningham, N.L. Allan and A. McCulloch, in Proceedings of the STEP-HALOCSIDE/AFEAS Workshop: Kinetics and Mechanisms for the Reactions of Halogenated Organic Compounds in the Troposphere (University College Dublin, March 1993); pp 98-103.
• "Ionic halides and oxides at high pressure: Calculated hugoniots, isotherms and thermal pressures." N.L. Allan, M. Braithwaite, D.L. Cooper, B. Petch and W.C. Mackrodt, J. Chem. Soc., Faraday Trans. 89, 4369-4373 (1993).
• "The lowest singlet and triplet states of o-benzyne: spin-coupled interpretation of the electronic structure at CASSCF equilibrium geometries." P.B. Karadakov, J. Gerratt, G. Raos, D.L. Cooper and M. Raimondi, Isr. J. Chem. 33, 253-264 (1993).
• "Molecular similarity of anti-HIV phospholipids." D.L. Cooper, K.A. Mort, N.L. Allan, D. Kinchington and C. McGuigan, J. Am. Chem. Soc. 115, 12615-12616 (1993).
• "Electronic structure of atoms and molecules." J.C. Morrison, A.W. Weiss, K. Kirby and D. Cooper, in Encyclopedia of Applied Physics (ed. G.L. Trigg) 6, 45-98 (VCH, New York, 1993).

1992

• "Tropospheric lifetimes of potential CFC replacements: rate coefficients for reaction with the hydroxyl radical." D.L. Cooper, T.P. Cunningham, N.L. Allan and A. McCulloch, Atmos. Environ. 26A, 1331-1334 (1992).
• "Molecular dissimilarity: a momentum-space criterion." D.L. Cooper and N.L. Allan, J. Am. Chem. Soc. 114, 4773-4776 (1992).
• "The population of long-lived vibrational levels of CO: I¹Σ^- and D¹Δ." K. Kirby, M.E. Rosenkrantz and D.L. Cooper, Phys. Rev. Lett. 68, 3865-3868 (1992).
• "The calculated behaviour of periclase (MgO) at high temperatures and pressures." N.L. Allan, M. Braithwaite, D.L. Cooper, W.C. Mackrodt and S.C. Wright, in Shock Compression of Condensed Matter 1991, ed. S.C. Schmidt, R.D. Dick, J.W. Forbes and D.G. Tasker (Elsevier, 1992); pp 53-56.
• "Chemical bonding to lithium clusters: the interaction of Li₅ with H atoms." M. Raimondi, E. Tornaghi, D.L. Cooper and J. Gerratt, J. Chem. Soc., Faraday Trans. 88, 2309-2314 (1992).
• "The spin-coupled description of lithium clusters. I. Optimal geometrical arrangements and bcc fragments." E. Tornaghi, D.L. Cooper, J. Gerratt, M. Raimondi and M. Sironi, J. Mol. Struct. (THEOCHEM) 259, 383-410 (1992).
• "Polar solids at high pressure: NaF." N.L. Allan, M. Braithwaite, D.L. Cooper, W.C. Mackrodt and B. Petch, Mol. Simul. 9, 161-169 (1992).
• "The spin-coupled description of cyclobutadiene and 2,4-dimethylenecyclobutane-1,3-diyl: antipairs." S.C. Wright, D.L. Cooper, J. Gerratt and M. Raimondi, J. Phys. Chem. 96, 7943-7952 (1992).
• "The charge transfer of N⁴⁺ with atomic hydrogen." B. Zygelman, D.L. Cooper, M.J. Ford, A. Dalgarno, J. Gerratt and M. Raimondi, Phys. Rev. A 46, 3846-3854 (1992).
• "Core-valence separation in the spin-coupled wavefunction: a fully variational treatment based on a second-order constrained optimization procedure." P.B. Karadakov, J. Gerratt, D.L. Cooper and M. Raimondi, J. Chem. Phys. 97, 7637-7655 (1992).
• "A momentum space approach to molecular similarity." N.L. Allan and D.L. Cooper, J. Chem. Inf. Comput. Sci. 32, 587-590 (1992).

1991

• "On the bonding in B₂H₆ and the lone pairs in H₂O: the use of localized molecular orbitals in spin-coupled calculations." D.L. Cooper, J. Gerratt and M. Raimondi, J. Mol. Struct. (THEOCHEM) 229, 155-162 (1991).
• "Hybrids and bond formation: excursions in momentum space." D.L. Cooper, S.D. Loades and N.L. Allan, J. Mol. Struct. (THEOCHEM) 229, 189-196 (1991).
• "The ab initio spin-coupled description of the process HCN → CH + N." M. Sironi, M. Raimondi, D.L. Cooper and J. Gerratt, J. Mol. Struct. (THEOCHEM) 229, 279-289 (1991).
• "Applications of spin-coupled valence bond theory." D.L. Cooper, J. Gerratt and M. Raimondi, Chem. Rev. 91, 929-964 (1991).
• "Ionic solids at high pressures and elevated temperatures: MgO (periclase)." N.L. Allan, M. Braithwaite, D.L. Cooper, W.C. Mackrodt and S.C. Wright, J. Chem. Phys. 95, 6792-6799 (1991).
• "The electronic structure of diborane and B₃H₈^–: B-H-B bridges and closed BBB bonds." M. Sironi, M. Raimondi, D.L. Cooper and J. Gerratt, J. Phys. Chem. 95, 10617-10623 (1991).
• "The spin-coupled description of lithium clusters. II. Planar arrangements of rhombus units." [Teorijski opis litijevih grozdova primjenom metode vezanja spinova eletrona. II. Planarni raspored rompskih jedinica.] E. Tornaghi, D.L. Cooper, J. Gerratt and M. Raimondi, Croat. Chem. Acta 64, 429-448 (1991).

1990

• "The spin-coupled valence bond description of benzenoid aromatic molecules." D.L. Cooper, J. Gerratt and M. Raimondi, in Advances in the Theory of Benzenoid Hydrocarbons ed. I. Gutman and S.J. Cyvin, Top. Curr. Chem. 153, 41-55 (1990).
• "The spin-coupled valence bond theory of molecular electronic structure." J. Gerratt, D.L. Cooper and M. Raimondi, in Valence bond theory and chemical structure, ed. D.J. Klein and N. Trinajstić, pp 287-349 (Elsevier, 1990).
• "The modern VB descriptions of CH₂, CH₂⁺, SiH₂ and SiH₂⁺." S.C. Wright, D.L. Cooper, M. Sironi, M. Raimondi and J. Gerratt, J. Chem Soc. Perkin Trans. 2, 369-374 (1990).
• "The practical calculation of interionic potentials in solids using electron gas theory." N.L. Allan, D.L. Cooper and W.C. Mackrodt, Mol. Simul. 4, 269-283 (1990).
• "The spin-coupled approach to electronic structure." D.L. Cooper, J. Gerratt and M. Raimondi, Mol. Simul. 4, 293-312 (1990).
• "Theoretical studies of fluorocarbons. Part I. Small perfluoroalkane molecules." D.L. Cooper, N.L. Allan and R.L. Powell, J. Fluor. Chem. 46, 317-337 (1990).
• "Ab initio predictions for silicon analogues of astrophysically interesting molecules: SiC₂H₂, SiH₂CN, SiH₂C₂, and CH₂CSi." D.L. Cooper, Astrophys. J. 354, 229-231 (1990).
• "Theoretical studies of fluorocarbons. Part II. Fluorine and chlorine substituted alkanes." D.L. Cooper, S.C. Wright, N.L. Allan and N. Winterton, J. Fluor. Chem. 47, 489-507 (1990).
• "The ab initio spin-coupled description of the reactions CH₂(¹A₁) + H₂ → CH₄ and CH₄ → CH₃(²A₁') + H." M. Sironi, D.L. Cooper, J. Gerratt and M. Raimondi, J. Am. Chem. Soc. 112, 5054-5060 (1990).
• "A molecular catastrophe." D.L. Cooper, Nature 346, 796-797 (1990).
• "Theoretical studies of fluorocarbons. Part III. Primary, secondary, tertiary and quaternary centres." D.L. Cooper, N.L. Allan and R.L. Powell, J. Fluor. Chem. 49, 421-432 (1990).
• "Reactions of hydrofluorocarbons and hydrochlorofluorocarbons with the hydroxyl radical." D.L. Cooper, N.L. Allan and A. McCulloch, Atmos. Environ. 24A, 2417-2419 (1990); D.L. Cooper and N.L. Allan, Atmos. Environ. 24A, 2703 (1990).
• "Organic reactivity - new light on old concepts." D.L. Cooper, M.A. Robb and I.H. Williams, Chem. in Brit. 26, 1085-1089 (1990); 27, 219 (1991).

1989

• "The electronic structure of heteroaromatic molecules. Part 1. Six-membered rings." D.L. Cooper, S.C. Wright, J. Gerratt and M. Raimondi, J. Chem. Soc. Perkin Trans. 2, 255-261 (1989).
• "The electronic structure of heteroaromatic molecules. Part 2. Five-membered rings." D.L. Cooper, S.C. Wright, J. Gerratt and M. Raimondi, J. Chem. Soc. Perkin Trans. 2, 263-267 (1989).
• "The electronic structure of monomeric methyl-lithium." F.E.G. Penotti, J. Gerratt, D.L. Cooper and M. Raimondi, J. Chem. Soc. Faraday Trans. 2 85, 151-156 (1989).
• "Theoretical study of low-lying ¹Σ⁺ and ¹Π states of CO. II. Transition dipole moments, oscillator strengths, and radiative lifetimes." K. Kirby and D.L. Cooper, J. Chem. Phys. 90, 4895-4902 (1989).
• "The modern valence bond description of naphthalene." M. Sironi, D.L. Cooper, M. Raimondi and J. Gerratt, J. Chem. Soc. Chem. Comm., 675-677 (1989).
• "The electronic structure of heteroaromatic molecules. Part 3. A comparison of benzene, borazine and boroxine." D.L. Cooper, S.C. Wright, J. Gerratt, P.A. Hyams and M. Raimondi, J. Chem. Soc. Perkin Trans. 2, 719-724 (1989).
• "The electronic structure of 1,3-dipoles: hypervalent atoms." D.L. Cooper, J. Gerratt and M. Raimondi, J. Chem. Soc. Perkin Trans. 2, 1187-1197 (1989).
• "Momentum space studies of large polyenes." D.L. Cooper, N.L. Allan and P.J. Grout, J. Chem. Soc. Faraday Trans. 2 85, 1519-1529 (1989); 86, 1625 (1990).
• "On the bonding in 2,4-dimethylenecyclobutane-1,3-diyl." S.C. Wright, D.L. Cooper, J. Gerratt and M. Raimondi, J. Chem. Soc. Chem. Comm., 1489-1491 (1989).
• "A novel approach to molecular similarity." D.L. Cooper and N.L. Allan, J. Comput.-Aided Mol. Design 3, 253-259 (1989).
• "Spin-coupled valence bond study of the lithium hydride anion." M.J. Ford, D.L. Cooper, J. Gerratt and M. Raimondi, J. Chem. Soc. Faraday Trans 2 85, 1713-1719 (1989).
• "On the bonding to transition metal atoms in low oxidation states." S.D. Loades, D.L. Cooper, J. Gerratt and M. Raimondi, J. Chem. Soc. Chem. Comm., 1604-1606 (1989).

1988

• "Spin-coupled valence bond theory." D.L. Cooper, J. Gerratt and M. Raimondi, Int. Rev. Phys. Chem. 7, 59-80 (1988); 7, 177 (1988).
• "The ab initio spin-coupled description of methane: hybridization without preconceptions." F. Penotti, D.L. Cooper, J. Gerratt and M. Raimondi, J. Mol. Struct. (THEOCHEM) 169, 421-436 (1988).
• "Valence bond calculations of the degree of covalency in a C-X bond: Application to CH₄ and CH₃Li." P.C. Hiberty and D.L. Cooper, J. Mol. Struct. (THEOCHEM) 169, 437-446 (1988).
• "Topological partitioning of electron densities from spin-coupled wavefunctions." D.L. Cooper and N.L. Allan, Chem. Phys. Lett. 150, 287-293 (1988).
• "Ab initio geometries for C_2n+1H, C_2n+1H⁺, and C_2n+1H₂ species for n = 1, 2, 3." D.L. Cooper and S.C. Murphy, Astrophys. J. 333, 482-490 (1988).
• "Spin-coupled VB study of the molecular di-cations of methane, ammonia and water." M. Sironi, D.L. Cooper, J. Gerratt and M. Raimondi, Mol. Phys. 65, 251-259 (1988).
• "Theoretical study of the (3sσ)¹Π Rydberg state of CO." D.L. Cooper and K. Kirby, Chem. Phys. Lett. 152, 393-396 (1988); 155, 624 (1989).
• "Computer-assisted learning in Chemistry." D.J. Chadwick, D.L. Cooper, P.P. Duce, D. Margerison, S.M. Walker and T.W. Walton, in Research and Academic Users Guide to the IBM Personal Computer. Vol. 2, ed. P. Barnetson (Oxford University Press, 1988); pp 42-59.

1987

• "Bond formation in momentum space." D.L. Cooper and N.L. Allan, J. Chem. Soc. Faraday Trans. 2 83, 449-460 (1987).
• "The interpretation of binary (e,2e) spectroscopy using spin-coupled theory." N.L. Allan, D.L. Cooper, J. Gerratt and M. Raimondi, J. Electron Spectrosc. Relat. Phenom. 42, 127-148 (1987).
• "Mutual neutralization and chemi-ionization in collisions of alkali metal and halogen atoms." D.L. Cooper, S. Bienstock and A. Dalgarno, J. Chem. Phys. 86, 3845-3851 (1987).
• "Modern valence bond theory." D.L. Cooper, J. Gerratt and M. Raimondi, Adv. in Chem. Phys. 69, 319-397 (1987).
• "Theoretical study of low-lying ¹Σ⁺ and ¹Π states of CO. I. Potential energy curves and dipole moments." D.L. Cooper and Kate Kirby, J. Chem. Phys. 87, 424-432 (1987).
• "The electronic structure of 1,3-dipoles: spin-coupled descriptions of nitrone and diazomethane." D.L. Cooper, J. Gerratt, M. Raimondi and S.C. Wright, Chem. Phys. Lett. 138, 296-302 (1987).
• "The electronic structure of the benzene molecule." J. Gerratt, M. Raimondi and D.L. Cooper, Nature 329, 429-430 (1987).
• "Study of the spectrum and decay of the doubly-charged water ion using spin-coupled valence bond theory." D.L. Cooper, J. Gerratt, M. Raimondi and M. Sironi, J. Chem. Phys. 87, 1666-1676 (1987).
• "Calculation of potential energy curves for electron capture by C³⁺ from neutral lithium using spin-coupled VB theory." S.A. Barnard, M.J. Ford, D.L. Cooper, J. Gerratt and M. Raimondi, Mol. Phys. 61, 1193-1198 (1987).
• "The electronic structure of CH₂ and the cycloaddition reaction of methylene with ethene." M. Sironi, M. Raimondi, D.L. Cooper and J. Gerratt, J. Chem. Soc. Faraday Trans. 2 83, 1651-1661 (1987).
• "Local density approximations and momentum space properties in light molecules and ionic solids." N.L. Allan and D.L. Cooper, J. Chem. Soc. Faraday Trans. 2 83, 1675-1687 (1987).

1986

• "Spectrum and decay of the doubly-charged water ion." P.J. Richardson, J.H.D. Eland, P.G. Fournier and D.L. Cooper, J. Chem. Phys. 84, 3189-3194 (1986).
• "Momentum space properties and local density approximations in small molecules: a critical appraisal." N.L. Allan and D.L. Cooper, J. Chem. Phys. 84, 5594-5605 (1986).
• "Potential energy surfaces for the reaction of B⁺(¹S,³P) with H₂ using spin-coupled VB theory. Asymptotic regions of the surfaces." D.L. Cooper, J. Gerratt and M. Raimondi, Chem. Phys. Lett. 127, 600-608 (1986).
• "Ab initio valence-bond theory." M. Raimondi, J. Gerratt and D.L. Cooper, Phys. Rev. A 34, 673 (1986).
• "Calculation of potential energy curves for the process C³⁺(2l) + H(1s) → C²⁺(nl n'l';¹L) + H⁺ using spin-coupled VB theory." D.L. Cooper, M.J. Ford, J. Gerratt and M. Raimondi, Phys. Rev. A 34, 1752-1756 (1986).
• "The electronic structure of the benzene molecule." D.L. Cooper, J. Gerratt and M. Raimondi, Nature 323, 699-701 (1986).
• "Ab initio investigation of low-lying ²Σ⁺ and ²Π states of NO⁺⁺." D.L. Cooper, Chem. Phys. Lett. 132, 377-382 (1986).

1985

• "MCSCF study of spin-orbit coupling in OH (X²Π_i)." D.L. Cooper, Mol. Phys. 54, 439-443 (1985).
• "A two-photon process in gaseous Na₂." D.L. Cooper, R.F. Barrow, J. Vergès, C. Effantin and J. d'Incan, Chem. Phys. Lett. 114, 483-485 (1985).
• "Fine structure splittings in the boron and fluorine isoelectronic sequences: comparisons of perturbative (Breit-Pauli) and non-perturbative (MCDF-EAL) predictions." D.L. Cooper, J. Hata and I.P. Grant, J. Phys. B 18, 1081-1087 (1985).
• "Inclusion of the electron anomaly in effective hamiltonians for perturbative (Breit-Pauli) and non-perturbative approaches to fine structure." J. Hata, D.L. Cooper and I.P. Grant, J. Phys. B 18, 1907-1917 (1985).
• "Ab initio computation of molecular similarity." P.E. Bowen-Jenkins, D.L. Cooper and W.G. Richards, J. Phys. Chem. 89, 2195-2197 (1985).
• "Local density approximations to moments of momentum of diatomic molecules with Hartree-Fock-Roothaan quality electron distributions." N.L. Allan, D.L. Cooper, C.G. West, P.J. Grout and N.H. March, J. Chem. Phys. 83, 239-240 (1985).
• "The dipole moment of LiH(X¹Σ⁺): spin-coupled valence bond study." D.L. Cooper, J. Gerratt and M. Raimondi, Chem. Phys. Lett. 118, 580-584 (1985).
• "Distributed multipole analysis from charge partitioning by zero-flux surfaces: The structure of hydrogen fluoride complexes." D.L. Cooper and N.C.J. Stutchbury, Chem. Phys. Lett. 120, 167-172 (1985).
• "The gradient expansions of the kinetic energy and the mean momentum for light diatomic molecules." N.L. Allan, C.G. West, D.L. Cooper, P.J. Grout and N.H. March, J. Chem. Phys. 83, 4562-4564 (1985).
• "Spin-coupled valence bond study of low-lying states of LiHe⁺." D.L. Cooper, J. Gerratt and M. Raimondi, Mol. Phys. 56, 611-620 (1985).

1984

• "Theoretical investigation of the X²Σ⁺ and C²Σ⁺ states of BeH." D.L. Cooper, J. Chem. Phys. 80, 1961-1963 (1984).
• "Energy transfer in oxygen-hydrogen collisions." D.L. Cooper, Y.H. Yee and A. Dalgarno, Planet. Space Sci. 7, 825-530 (1984).
• "The double minimum (2)¹Σ_u⁺ state of Na₂." J. Vergès, C. Effantin, J. d'Incan, D.L. Cooper and R.F. Barrow, Phys. Rev. Lett. 53, 46-47 (1984).
• "On the accuracy of the Breit-Pauli approximation for the calculation of fine structure-intervals in light atoms." D.L. Cooper, J. Hata and I.P. Grant, J. Phys. B 17, L499-L503 (1984); 18, 4805 (1985).
• "Radiative charge transfer and radiative association in collisions of helium ions with neon atoms." D.L. Cooper, K. Kirby and A. Dalgarno, Can. J. Phys. 62, 1622-1628 (1984).
• "Laser-excited fluorescence of the (2)¹Σ_u⁺ double-minimum state of Na₂ studied by Fourier-transform spectrometry." D.L. Cooper, R.F. Barrow, J. Vergès, C. Effantin and J. d'Incan, Can. J. Phys. 62, 1543-1562 (1984).
• "Studies of molecular states using spin-coupled valence-bond theory." D.L. Cooper, J. Gerratt and M. Raimondi, Faraday Symp. Chem. Soc. 19, 149-163 (1984).

1983

• "Ab initio spin-orbit coupling constants for potential exotic interstellar molecules." D.L. Cooper, Astrophys. J. 265, 808-812 (1983).
• "Ab initio molecular orbital calculations for chemists. Second edition." W.G. Richards and D.L. Cooper, Oxford University Press (1983).
• "A theoretical study of AlH⁺: spin splitting, core polarisation and interstellar chemistry." D.L. Cooper, J.H. Black, M.A.L. Everard and W.G. Richards, J. Chem. Phys. 78, 1371-1376 (1983).
• "Universal even-tempered basis sets for negative molecular ions." D.L. Cooper and S. Wilson, J. Chem. Phys. 78, 2456-2458 (1983).
• "The use of universal even-tempered basis sets in spin-coupled wavefunctions: the electron affinity of Li(²S)." D.L. Cooper and J. Gerratt, J. Phys. B 16, 3703-3712 (1983).
• "Charge partitioning by zero flux surfaces: the acidities and basicities of simple aliphatic alcohols and amines." N.C.J. Stutchbury and D.L. Cooper, J. Chem. Phys. 79, 4967-4972 (1983).

1982

• "Ab initio calculation of atomic spin-orbit coupling constants using a universal systematic sequence of even-tempered exponential basis functions." D.L. Cooper and S. Wilson, J. Phys. B 15, 493-501 (1982).
• "Spin-orbit coupling constants for ²E states of CH₃O and CH₃F⁺." D.L. Cooper, J. Chem. Phys. 76, 2765-2766 (1982).
• "Accidental predissociation in lithium dimer: a theoretical investigation." D.L. Cooper, J.M. Hutson and T. Uzer, Chem. Phys. Lett. 86, 472-476 (1982).
• "Spin splitting in the X²Σ⁺ state of MgH." D.L. Cooper, J. Chem. Phys. 76, 3692-3693 (1982).
• "Spin-orbit coupling interactions in the π^*→n phosphorescence of formaldehyde." D.L. Cooper, N.C.J. Stutchbury and W.G. Richards, J. Chem. Phys. 76, 4671-4672 (1982).
• "Ab initio calculation of molecular spin-orbit coupling constants using a universal even-tempered basis set of exponential functions." D.L. Cooper and S. Wilson, J. Chem. Phys. 76, 6088-6090 (1982).
• "Spin-orbit coupling and spin splitting in HeNe⁺." D.L. Cooper, J. Chem. Phys. 76, 6443-6444 (1982).
• "Universal systematic sequences of even-tempered basis functions in electronic structure studies of negative ions." D.L. Cooper and S. Wilson, J. Chem. Phys. 76, 4551-4554 (1982).
• "Universal systematic sequences of even-tempered exponential functions in electronic structure studies." D.L. Cooper and S. Wilson, J. Chem. Phys. 76, 5053-5057 (1982).

1981

• "SiH: Λ doubling and "core polarisation"." D.L. Cooper and W.G. Richards, J. Chem. Phys. 74, 96-98 (1981).
• "Spin splitting in BH⁺." D.L. Cooper and W.G. Richards, J. Phys. B 14, L127-L130 (1981); 15, 491 (1982).
• "Spin-orbit coupling in CCN and CNC." D.L. Cooper and W.G. Richards, J. Phys. B 14, L131-L133 (1981).
• "Ab initio calculation of higher order corrections to Λ doubling and spin splitting in diatomic molecules." D.L. Cooper and L. Veseth, J. Chem. Phys. 74, 3961-3964 (1981).
• "Spin-orbit coupling in molecules." W.G. Richards, H.P. Trivedi and D.L. Cooper, International Series of Monographs on Chemistry (Clarendon Press, Oxford, 1981).
• "Spin-orbit coupling in the butadiyne ion." D.L. Cooper, J. Phys. B 14, L397-L399 (1981).
• "Spin-orbit coupling effects in diatomic molecules." D.L. Cooper, D. Phil. Thesis, Oxford (1981).
• "Theoretical study of the HCCS radical." D.L. Cooper, Chem. Phys. Lett. 81, 479-480 (1981).
• "The nature of the A²Π state in BeF: Λ-doubling constants." D.L. Cooper, S.J. Prosser and W.G. Richards, J. Phys. B 14, L487-L489 (1981).
• "Second-order and third-order Λ-doubling constants in SH." K. Checkland, D.L. Cooper and W.G. Richards, J. Phys. B 14, 2545-2549 (1981).
• "Noble gas molecular ions." D.L. Cooper and S. Wilson, Mol. Phys. 44, 161-172 (1981).
• "Spin-orbit coupling and Λ doubling in NaAr." D.L. Cooper, J. Chem. Phys. 75, 4157-4159 (1981).
• "Direct summation over vibrational levels: Λ doubling in HF⁺." J.M. Hutson and D.L. Cooper, J. Chem. Phys. 75, 4502-4506 (1981).
• "Theoretical study of SiO₂^–." D.L. Cooper and S. Wilson, Mol. Phys. 44, 799-802 (1981).

1979-1980

• "Spin doubling in CaH." D.L. Cooper and W.G. Richards, J. Chem. Phys. 73, 991-992 (1980).
• "Spin-orbit coupling and Λ-doubling in LiO." D.L. Copper and W.G. Richards, J. Chem. Phys. 73, 3515-3517 (1980).
• "The accuracy of predicted radioastronomical frequencies and the spectrum of hydroxyl." D.L. Cooper and W.G. Richards, Nature 278, 624-625 (1979).
• "Λ-doubling." D.L. Cooper, Part II Thesis, Oxford (1979).