| Delocalization error: The greatest outstanding challenge in density‐functional theory KR Bryenton, AA Adeleke, SG Dale, ER Johnson Wiley Interdisciplinary Reviews: Computational Molecular Science 13 (2), e1631, 2023 | 128* | 2023 |
| Extreme density-driven delocalization error for a model solvated-electron system ER Johnson, A Otero-De-La-Roza, SG Dale The Journal of chemical physics 139 (18), 2013 | 123 | 2013 |
| Density-functional description of electrides SG Dale, A Otero-de-la-Roza, ER Johnson Physical Chemistry Chemical Physics 16 (28), 14584-14593, 2014 | 99 | 2014 |
| Theoretical descriptors of electrides SG Dale, ER Johnson The Journal of Physical Chemistry A 122 (49), 9371-9391, 2018 | 78 | 2018 |
| Pervasive Delocalisation Error Causes Spurious Proton Transfer in Organic Acid–Base Co‐Crystals LM LeBlanc, SG Dale, CR Taylor, AD Becke, GM Day, ER Johnson Angewandte Chemie 130 (45), 15122-15126, 2018 | 76 | 2018 |
| Quantum chemical methods for modeling covalent modification of biological thiols E Awoonor‐Williams, WC Isley III, SG Dale, ER Johnson, H Yu, AD Becke, ... Journal of Computational Chemistry 41 (5), 427-438, 2020 | 49 | 2020 |
| Efficient basis sets for non-covalent interactions in XDM-corrected density-functional theory ER Johnson, A Otero-de-la-Roza, SG Dale, GA DiLabio The Journal of Chemical Physics 139 (21), 2013 | 43 | 2013 |
| Single excitation energies obtained from the ensemble “HOMO–LUMO gap”: Exact results and approximations T Gould, Z Hashimi, L Kronik, SG Dale The journal of physical chemistry letters 13 (10), 2452-2458, 2022 | 32 | 2022 |
| Poisoning density functional theory with benchmark sets of difficult systems T Gould, SG Dale Physical Chemistry Chemical Physics 24 (11), 6398-6403, 2022 | 26 | 2022 |
| Communication: Correct charge transfer in CT complexes from the Becke’05 density functional AD Becke, SG Dale, ER Johnson The Journal of Chemical Physics 148 (21), 2018 | 25 | 2018 |
| The explicit examination of the magnetic states of electrides SG Dale, ER Johnson Physical Chemistry Chemical Physics 18 (39), 27326-27335, 2016 | 20 | 2016 |
| Interrogating the Becke’05 density functional for non-locality information SG Dale, ER Johnson, AD Becke The Journal Of Chemical Physics 147 (15), 2017 | 18 | 2017 |
| The ionic versus metallic nature of 2D electrides: a density-functional description SG Dale, ER Johnson Physical Chemistry Chemical Physics 19 (40), 27343-27352, 2017 | 18 | 2017 |
| Anion Photoelectron Spectra and Ab Initio Calculations of the Iodide–Carbon Monoxide Clusters: I–···(CO)n, n = 1–4 KM Lapere, RJ LaMacchia, LH Quak, M Kettner, SG Dale, AJ McKinley, ... The Journal of Physical Chemistry A 116 (14), 3577-3584, 2012 | 17 | 2012 |
| Benchmark study of DFT and composite methods for bond dissociation energies in argon compounds LJ Yu, SG Dale, B Chan, A Karton Chemical Physics 531, 110676, 2020 | 14 | 2020 |
| Pressure-Induced Isostructural Antiferromagnetic–Ferromagnetic Transition in an Organic Electride SG Dale, A Otero-de-la-Roza, ER Johnson The Journal of Physical Chemistry C 122 (24), 12742-12747, 2018 | 14 | 2018 |
| Counterintuitive electron localisation from density-functional theory with polarisable solvent models SG Dale, ER Johnson The Journal of Chemical Physics 143 (18), 2015 | 13 | 2015 |
| The Bromide–Carbon Monoxide Gas Phase Complex: Anion Photoelectron Spectroscopy and Ab Initio Calculations KM Lapere, RJ LaMacchia, LH Quak, M Kettner, SG Dale, AJ McKinley, ... Australian Journal of Chemistry 65 (5), 457-462, 2012 | 12 | 2012 |
| Identifying and embedding transferability in data-driven representations of chemical space T Gould, B Chan, SG Dale, S Vuckovic Chemical Science 15 (28), 11122-11133, 2024 | 10* | 2024 |
| Kinetics of the addition of olefins to Si-centered radicals: the critical role of dispersion interactions revealed by theory and experiment ER Johnson, OJ Clarkin, SG Dale, GA DiLabio The Journal of Physical Chemistry A 119 (22), 5883-5888, 2015 | 10 | 2015 |
Erin R JohnsonHerzberg-Becke Chair in Theoretical Chemistry, Dalhousie UniversityDirección de correo verificada de dal.ca