2022
Price, A. N., Berryman, V., Ochiai, T., Shephard, J. J., Parsons, S., Kaltsoyannis, N., & Arnold, P. L. (2022). Contrasting behaviour under pressure reveals the reasons for pyramidalization in tris(amido)uranium(III) and tris(arylthiolate) uranium(III) molecules. Nature Communications, 13(1). doi:10.1038/s41467-022-31550-7DOI: 10.1038/s41467-022-31550-7
An Ab Initio Study of the Effect of Hydration on the Vibrational Spectrum of Hydrogen Vanadate Ion (Journal article)
Pye, C. C., Berryman, V. E. J., & Goodall, B. L. (2022). An Ab Initio Study of the Effect of Hydration on the Vibrational Spectrum of Hydrogen Vanadate Ion. JOURNAL OF SOLUTION CHEMISTRY. doi:10.1007/s10953-022-01223-6DOI: 10.1007/s10953-022-01223-6
2021
Du, J., Seed, J. A., Berryman, V. E. J., Kaltsoyannis, N., Adams, R. W., Lee, D., & Liddle, S. T. (n.d.). Exceptional uranium(VI)-nitride triple bond covalency from 15N nuclear magnetic resonance spectroscopy and quantum chemical analysis. Nature Communications, 12(1). doi:10.1038/s41467-021-25863-2DOI: 10.1038/s41467-021-25863-2
Martinez-Ahumada, E., He, D., Berryman, V., Lopez-Olvera, A., Hernandez, M., Jancik, V., . . . Liu, M. (2021). SO<sub>2</sub> Capture Using Porous Organic Cages. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 60(32), 17556-17563. doi:10.1002/anie.202104555DOI: 10.1002/anie.202104555
<sup>29</sup>Si NMR Spectroscopy as a Probe of s- and f-Block Metal(II)–Silanide Bond Covalency (Journal article)
Réant, B. L. L., Berryman, V. E. J., Basford, A. R., Nodaraki, L. E., Wooles, A. J., Tuna, F., . . . Liddle, S. T. (2021). <sup>29</sup>Si NMR Spectroscopy as a Probe of s- and f-Block Metal(II)–Silanide Bond Covalency. Journal of the American Chemical Society, 143(26), 9813-9824. doi:10.1021/jacs.1c03236DOI: 10.1021/jacs.1c03236
2019
Computational analysis of M-O covalency in M(OC<sub>6</sub>H<sub>5</sub>)<sub>4</sub> (M = Ti, Zr, Hf, Ce, Th, U) (Journal article)
Berryman, V. E. J., Whalley, Z. J., Shephard, J. J., Ochiai, T., Price, A. N., Arnold, P. L., . . . Kaltsoyannis, N. (2019). Computational analysis of M-O covalency in M(OC<sub>6</sub>H<sub>5</sub>)<sub>4</sub> (M = Ti, Zr, Hf, Ce, Th, U). DALTON TRANSACTIONS, 48(9), 2939-2947. doi:10.1039/c8dt05094eDOI: 10.1039/c8dt05094e
Emergence of the structure-directing role of f-orbital overlap-driven covalency (Journal article)
Lu, E., Sajjad, S., Berryman, V. E. J., Wooles, A. J., Kaltsoyannis, N., & Liddle, S. T. (2019). Emergence of the structure-directing role of f-orbital overlap-driven covalency. NATURE COMMUNICATIONS, 10. doi:10.1038/s41467-019-08553-yDOI: 10.1038/s41467-019-08553-y
2015
Balancing Exchange Mixing in Density-Functional Approximations for Iron Porphyrin (Journal article)
Berryman, V. E. J., Boyd, R. J., & Johnson, E. R. (2015). Balancing Exchange Mixing in Density-Functional Approximations for Iron Porphyrin. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 11(7), 3022-3028. doi:10.1021/acs.jctc.5b00203DOI: 10.1021/acs.jctc.5b00203
The Importance of the MM Environment and the Selection of the QM Method in QM/MM Calculations (Chapter)
Bushnell, E. A. C., Berryman, V. E. J., Gauld, J. W., & Boyd, R. J. (2015). The Importance of the MM Environment and the Selection of the QM Method in QM/MM Calculations. In Combined Quantum Mechanical and Molecular Mechanical Modelling of Biomolecular Interactions (pp. 153-185). Elsevier. doi:10.1016/bs.apcsb.2015.06.008DOI: 10.1016/bs.apcsb.2015.06.008
The Importance of the MM Environment and the Selection of the QM Method in QM/MM Calculations: Applications to Enzymatic Reactions. (Journal article)
Bushnell, E. A. C., Berryman, V. E. J., Gauld, J. W., & Boyd, R. J. (2015). The Importance of the MM Environment and the Selection of the QM Method in QM/MM Calculations: Applications to Enzymatic Reactions.. Advances in protein chemistry and structural biology, 100, 153-185. doi:10.1016/bs.apcsb.2015.06.008DOI: 10.1016/bs.apcsb.2015.06.008
2014
Effect of Amino Acid Ligands on the Structure of Iron Porphyrins and Their Ability to Bind Oxygen (Journal article)
Berryman, V. E. J., Baker, M. G., & Boyd, R. J. (2014). Effect of Amino Acid Ligands on the Structure of Iron Porphyrins and Their Ability to Bind Oxygen. JOURNAL OF PHYSICAL CHEMISTRY A, 118(25), 4565-4574. doi:10.1021/jp502541yDOI: 10.1021/jp502541y
2012
Self-Assembling ADADA Helices Formed by Hydrogen Bonding (Journal article)
Taylor, A., Berryman, V. E. J., & Boyd, R. J. (2012). Self-Assembling ADADA Helices Formed by Hydrogen Bonding. JOURNAL OF PHYSICAL CHEMISTRY A, 116(30), 7965-7975. doi:10.1021/jp304967uDOI: 10.1021/jp304967u
2011
Ab Initio Investigation of the Hydration of the Tetrahedral Perchlorate, Perbromate, Selenate, Arsenate, and Vanadate Anions (Journal article)
Pye, C. C., & Walker, V. E. J. (2011). Ab Initio Investigation of the Hydration of the Tetrahedral Perchlorate, Perbromate, Selenate, Arsenate, and Vanadate Anions. JOURNAL OF PHYSICAL CHEMISTRY A, 115(45), 13007-13015. doi:10.1021/jp204783gDOI: 10.1021/jp204783g
Theoretical Study of Polaron Formation in Poly(G)-Poly(C) Cations (Journal article)
Wu, J., Walker, V. E. J., & Boyd, R. J. (2011). Theoretical Study of Polaron Formation in Poly(G)-Poly(C) Cations. JOURNAL OF PHYSICAL CHEMISTRY B, 115(12), 3136-3145. doi:10.1021/jp108818uDOI: 10.1021/jp108818u
2010
The Effect of Multiplicity on the Size of Iron(II) and the Structure of Iron(II) Porphyrins (Journal article)
Walker, V. E. J., Castillo, N., Matta, C. F., & Boyd, R. J. (2010). The Effect of Multiplicity on the Size of Iron(II) and the Structure of Iron(II) Porphyrins. JOURNAL OF PHYSICAL CHEMISTRY A, 114(37), 10315-10319. doi:10.1021/jp105842kDOI: 10.1021/jp105842k
