Noncovalent Carbon‐Bonding Interactions in Proteins VR Mundlapati, DK Sahoo, S Bhaumik, S Jena, A Chandrakar, HS Biswal Angewandte Chemie International Edition 57 (50), 16496-16500, 2018 | 109 | 2018 |
Comparison of internal conversion dynamics of azo and azoxy energetic moieties through the (S1/S0) CI conical Intersection: An ab initio multiple spawning study J Ghosh, S Bhaumik, A Bhattacharya Chemical Physics 513, 221-229, 2018 | 12 | 2018 |
Nonadiabatic dynamics of 1, 3-cyclohexadiene by curvature-driven coherent switching with decay of mixing L Zhang, Y Shu, S Bhaumik, X Chen, S Sun, Y Huang, DG Truhlar Journal of Chemical Theory and Computation 18 (12), 7073-7081, 2022 | 10 | 2022 |
Bioinspired Cu (II) Defect Sites in ZIF-8 for Selective Methane Oxidation Y Yang, S Kanchanakungwankul, S Bhaumik, Q Ma, S Ahn, DG Truhlar, ... Journal of the American Chemical Society 145 (40), 22019-22030, 2023 | 5 | 2023 |
Parametrically managed activation function for fitting a neural network potential with physical behavior enforced by a low-dimensional potential FB Akher, Y Shu, Z Varga, S Bhaumik, DG Truhlar The Journal of Physical Chemistry A 127 (24), 5287-5297, 2023 | 5 | 2023 |
Electron transfer dissociation of synthetic and natural peptides containing lanthionine/methyllanthionine bridges AB Dolle, N Jagadeesh, S Bhaumik, S Prakash, HS Biswal, KH Gowd Rapid Communications in Mass Spectrometry 32 (11), 831-843, 2018 | 2 | 2018 |
Post-Activation Function for Managing the Behavior of a Neural Network Potential with a Low-Dimensional Potential FB Akher, Y Shu, Z Varga, S Bhaumik, D Truhlar | 1 | 2023 |
Parametrically managed activation function for fitting a neural network potential with physical behavior enforced by lower level density fucntional theory calculation S Bhaumik, Y Shu, D Truhlar ACS Spring 2024, 2024 | | 2024 |
Parametrically managed activation function for fitting a neural network potential with physical behavior enforced by lower-level density functional theory calculation S Bhaumik, Y Shu, D Truhlar Bulletin of the American Physical Society, 2024 | | 2024 |
Bioinspired Cu(II) Defective Sites in ZIF-8 for Selective Methane Oxidation S Bhaumik, S Kanchanakungwankul, Y Yang, D Truhlar, J Hupp MRS Fall 2023, 2023 | | 2023 |