Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ...
The Journal of chemical physics 155 (8), 2021
668 2021 Symmetry in Multiple Self-Consistent-Field Solutions of Transition-Metal Complexes BC Huynh, AJW Thom
Journal of Chemical Theory and Computation 16 (2), 904-930, 2019
16 2019 Carbon dioxide reduction by lanthanide (iii) complexes supported by redox-active Schiff base ligands N Jori, D Toniolo, BC Huynh, R Scopelliti, M Mazzanti
Inorganic Chemistry Frontiers 7 (19), 3598-3608, 2020
6 2020 Understanding ground and excited-state molecular structure in strong magnetic fields using the maximum overlap method M Wibowo, BC Huynh, CY Cheng, TJP Irons, AM Teale
Molecular Physics 121 (7-8), e2152748, 2023
5 2023 Molecular charge distributions in strong magnetic fields: a conceptual and current DFT study TJP Irons, BC Huynh, AM Teale, F De Proft, P Geerlings
Molecular Physics, e2145245, 2022
3 2022 QSym 2 : A Quantum Symbolic Symmetry Analysis Program for Electronic StructureBC Huynh, M Wibowo-Teale, AM Wibowo-Teale
Journal of Chemical Theory and Computation 20 (1), 114-133, 2023
1 2023 Symmetry and reactivity of -systems in electric and magnetic fields: a perspective from conceptual DFT M Wibowo-Teale, BC Huynh, AM Wibowo-Teale, F De Proft, P Geerlings
arXiv preprint arXiv:2402.15595, 2024
2024 On Symmetry of Multiple Self-Consistent-Field Hartree–Fock Solutions B Huỳnh
2021 Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package W Skomorowski, PR Horn, AF White, P Pokhilko, N Mardirossian, Y Mao, ...
Journal of Chemical Physics, 2021
2021 On Symmetry and the Reality of Holomorphic Hartree--Fock Wavefunctions BC Huynh, AJW Thom
arXiv preprint arXiv:2012.12157, 2020
2020 Source code for QSym²: A Quantum Symbolic Symmetry Analysis Program for Electronic Structure B Huynh, M Wibowo-Teale, A Wibowo-Teale