A global optimizer for nanoclusters M Khatun, RS Majumdar, A Anoop Frontiers in chemistry 7, 644, 2019 | 41 | 2019 |
Simulating Spin–Orbit Coupling with Quasidegenerate N-Electron Valence Perturbation Theory R Majumder, AY Sokolov The Journal of Physical Chemistry A 127 (2), 546-559, 2023 | 5 | 2023 |
Simulating transient X-ray photoelectron spectra of Fe (CO) 5 and its photodissociation products with multireference algebraic diagrammatic construction theory NP Gaba, CEV de Moura, R Majumder, AY Sokolov Physical Chemistry Chemical Physics 26 (22), 15927-15938, 2024 | 3 | 2024 |
Two-State Hydrogen Atom Transfer Reactivity of Unsymmetric [Cu2(O)(NO)]2+ Complexes S Carter, W Tao, R Majumder, AY Sokolov, S Zhang Journal of the American Chemical Society 145 (32), 17779-17785, 2023 | 2 | 2023 |
Consistent Second-Order Treatment of Spin–Orbit Coupling and Dynamic Correlation in Quasidegenerate N-Electron Valence Perturbation Theory R Majumder, AY Sokolov Journal of Chemical Theory and Computation, 2024 | | 2024 |