| Exploration of unprecedented catalytic dehydrogenation mechanism of methylamine-water mixture in presence of Ru-pincer complex: A systematic DFT study T Debnath, T Ash, A Ghosh, S Sarkar, AK Das Journal of Catalysis 363, 164-182, 2018 | 11 | 2018 |
| Reduction of sulfur dioxide using superalkalis: A theoretical perspective S Sarkar, T Debnath, AK Das Computational and Theoretical Chemistry 1202, 113317, 2021 | 6 | 2021 |
| Theoretical analysis of tautomerization of succinimide and analogous compounds: insights from DFT approach S Sarkar, T Ash, T Debnath, AK Das Structural Chemistry 29 (3), 881-896, 2018 | 3 | 2018 |
| Designing metal-free organic superalkalis by modifying benzene: a theoretical perspective S Sarkar, T Debnath, AK Das Theoretical Chemistry Accounts 142 (1), 3, 2023 | 2 | 2023 |
| Exploration of tautomerizations of succinimide and maleimide assisted by ammonia and methanol: a theoretical perspective S Sarkar, T Ash, T Debnath, AK Das Theoretical Chemistry Accounts 138 (4), 1-10, 2019 | 2 | 2019 |
| Exploration of M (100)-2× 1 (M= Si, Ge) surface termination through hydrogen passivation using ethane and ammonia-borane derivatives: A theoretical approach T Debnath, T Ash, S Sarkar, A Ghosh, AK Das Journal of Molecular Graphics and Modelling 87, 11-21, 2019 | 2 | 2019 |
| Exploration of assisting behavior of molecular-MO2 (M= Ti, Zr) reagents towards the detoxication of tabun: A DFT study T Ash, T Debnath, S Sarkar, P Gurey, AK Das Chemical Physics Letters 717, 164-174, 2019 | 2 | 2019 |
| Superalkalis with Hydrogen as Central Electronegative Atom and their Possible Applications: Ab Initio and DFT Study S Sarkar, T Debnath, AK Das Chemistry–A European Journal, e202304223, 2024 | 1 | 2024 |
| Energetics and Spectroscopic Properties of Low‐lying CaC6H2 Isomers: An Astrochemical Perspective A Ghosh, S Banerjee, S Sarkar, T Debnath, T Ash, RS Roy, AK Das ChemistrySelect 7 (22), e202200763, 2022 | 1 | 2022 |
| Identification and characterization of intramolecular γ-halo interaction in d0 complexes: a theoretical approach T Debnath, T Ash, S Sarkar, AK Das Journal of Molecular Modeling 23 (7), 1-11, 2017 | 1 | 2017 |
| Interaction of moderately reactive molecules with organic superhalogens: a theoretical perspective S Sarkar, T Ash, T Debnath, AK Das Molecular Physics 118 (2), e1602739, 2020 | | 2020 |
| Formation of stable ionized complexes between coinage metal containing superhalogens and moderately reactive molecules: a DFT approach S Sarkar, T Ash, T Debnath, AK Das Structural Chemistry 30 (4), 1221-1231, 2019 | | 2019 |
| Towards a comprehensive understanding of the Si (100)-2× 1 surface termination through hydrogen passivation using methylamine and methanol: a theoretical approach T Debnath, T Ash, S Sarkar, AK Das Journal of Molecular Modeling 24 (10), 1-10, 2018 | | 2018 |