| Horton 2.0. 1 T Verstraelen, P Tecmer, F Heidar-Zadeh, K Boguslawski, M Chan, ... URL http://theochem. github. com/horton, 2015 | 38 | 2015 |
| Dissecting the bond-formation process of d 10-metal–ethene complexes with multireference approaches Y Zhao, K Boguslawski, P Tecmer, C Duperrouzel, G Barcza, Ö Legeza, ... Theoretical Chemistry Accounts 134, 1-10, 2015 | 18 | 2015 |
| Efficient and accurate density-based prediction of macromolecular polarizabilities D Zhao, Y Zhao, X He, PW Ayers, S Liu Physical Chemistry Chemical Physics 25 (3), 2131-2141, 2023 | 14 | 2023 |
| Horton 2.0. 0, 2015 T Verstraelen, P Tecmer, F Heidar-Zadeh, K Boguslawski, M Chan, ... Accessed: January 25, 2018 | 13 | 2018 |
| Accurate and efficient prediction of post-hartree–fock polarizabilities of condensed-phase systems D Zhao, Y Zhao, X He, Y Li, PW Ayers, S Liu Journal of Chemical Theory and Computation 19 (18), 6461-6470, 2023 | 7 | 2023 |
| Cooperativity and reactivity properties of medium-sized boron clusters: a combined density functional theory and information-theoretic approach study W Zhang, Y Zhao, X An, J Fu, J Zhang, D Zhao, S Liu, C Rong Molecular Physics, e2157774, 2022 | 7 | 2022 |
| Fragment-Based Deep Learning for Simultaneous Prediction of Polarizabilities and NMR Shieldings of Macromolecules and Their Aggregates D Zhao, Y Zhao, E Xu, W Liu, PW Ayers, S Liu, D Chen Journal of Chemical Theory and Computation 20 (6), 2655-2665, 2024 | 2 | 2024 |
| ModelHamiltonian: A Python-scriptable library for generating 0-, 1-, and 2-electron integrals V Chuiko, ADS Richards, G Sánchez-Díaz, M Martínez-González, ... The Journal of Chemical Physics 161 (13), 2024 | 1 | 2024 |
| Chiral Jahn–Teller Distortion in Quasi-Planar Boron Clusters D Zhao, Y Zhao, T Xu, X He, S Hu, PW Ayers, S Liu Molecules 29 (7), 1624, 2024 | 1 | 2024 |
| Meijer-G and other resummation strategies for the Møller–Plesset perturbation series Y Zhao, W Zhang, C Rong, PW Ayers The Journal of Chemical Physics 161 (19), 2024 | | 2024 |
| Why are information-theoretic descriptors powerful predictors of atomic and molecular polarizabilities Y Zhao, D Zhao, S Liu, C Rong, PW Ayers Journal of Molecular Modeling 30 (11), 361, 2024 | | 2024 |
| Density matrix renormalization group study of Hubbard ladders Y Zhao, L Wang, G Fernando APS March Meeting 64 (2), R19.013, 2019 | | 2019 |
Paul W. AyersProfessor of Chemistry & Chemical Biology, McMaster UniversityVerified email at chemistry.mcmaster.ca