Axel D. Becke, Ph.D.

Affiliations: 
Chemistry Dalhousie University, Halifax, Nova Scotia, Canada 
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"Axel Becke"
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Publications

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Becke AD. (2023) Doubling down on density-functional theory. The Journal of Chemical Physics. 159
Becke AD, Santra G, Martin JML. (2023) A double-hybrid density functional based on good local physics with outstanding performance on the GMTKN55 database. The Journal of Chemical Physics. 158
Becke AD. (2022) Density-functional theory vs density-functional fits: The best of both. The Journal of Chemical Physics. 157: 234102
Becke AD. (2022) Density-functional theory vs density-functional fits. The Journal of Chemical Physics. 156: 214101
Feng X, Becke AD, Johnson ER. (2020) Computational modeling of piezochromism in molecular crystals. The Journal of Chemical Physics. 152: 234106
Awoonor-Williams E, Isley WC, Dale SG, et al. (2019) Quantum Chemical Methods for Modeling Covalent Modification of Biological Thiols. Journal of Computational Chemistry
Becke AD. (2019) Dependence of the virial exciton model on basis set and exact-exchange fraction. The Journal of Chemical Physics. 150: 241101
Feng X, Becke AD, Johnson ER. (2018) Communication: Becke's virial exciton model gives accurate charge-transfer excitation energies. The Journal of Chemical Physics. 149: 231101
Dale SG, Becke AD, Johnson ER. (2018) Density-functional description of alkalides: introducing the alkalide state. Physical Chemistry Chemical Physics : Pccp
LeBlanc LM, Dale SG, Taylor CR, et al. (2018) Pervasive Delocalisation Error Causes Spurious Proton Transfer in Organic Acid-Base Co-Crystals. Angewandte Chemie (International Ed. in English)
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