A journey toward the heaven of chemical fidelity of intermolecular force fields A James, C John, A Melekamburath, M Rajeevan, RS Swathi Wiley Interdisciplinary Reviews: Computational Molecular Science 12 (4), e1599, 2022 | 4 | 2022 |
Elucidation of Noble Gas Cluster Configurations Bound on Graphdiyne: A Metaheuristic Approach C John, M Rajeevan, RS Swathi Chemistry–An Asian Journal 17 (18), e202200625, 2022 | 2 | 2022 |
In pursuit of accurate interlayer potentials for twisted bilayer graphynes A Melekamburath, A James, M Rajeevan, C John, RS Swathi Physical Chemistry Chemical Physics 23 (47), 27031-27041, 2021 | 2 | 2021 |
Exploring the energy landscape of graphynes for noble gas adsorption using swarm intelligence M Rajeevan, RS Swathi Artificial Intelligence Chemistry 2 (1), 100048, 2024 | | 2024 |
A Terrylene Bisimide based Universal Host for Aromatic Guests to Derive Contact Surface‐Dependent Dispersion Energies J Rühe, M Rajeevan, K Shoyama, RS Swathi, F Würthner Angewandte Chemie International Edition, e202318451, 2024 | | 2024 |
Energy landscape of perylenediimide chromophoric aggregates PP Das, A Mazumder, M Rajeevan, RS Swathi, M Hariharan Physical Chemistry Chemical Physics 26 (3), 2007-2015, 2024 | | 2024 |