| Novel porous metal phosphonates as efficient electrocatalysts for the oxygen evolution reaction P Bhanja, Y Kim, K Kani, B Paul, T Debnath, J Lin, A Bhaumik, ... Chemical Engineering Journal 396, 125245, 2020 | 61 | 2020 |
| Multiple Li+-and Mg 2+-decorated PAHs: potential systems for reversible hydrogen storage A Ghosh, T Debnath, T Ash, AK Das RSC advances 7 (16), 9521-9533, 2017 | 26 | 2017 |
| Efficient White‐Light Generation from Ionically Self‐Assembled Triply‐Fluorescent Organic Nanoparticles S Das, T Debnath, A Basu, D Ghosh, AK Das, GA Baker, A Patra Chemistry–A European Journal 22 (26), 8855-8863, 2016 | 18 | 2016 |
| Interactions between metal cations with H2 in the M+- H2 complexes: Performance of DFT and DFT-D methods S Pakhira, T Debnath, K Sen, AK Das Journal of Chemical Sciences 128, 621-631, 2016 | 17 | 2016 |
| Hydrolysis of ammonia borane and metal amidoboranes: A comparative study T Banu, T Debnath, T Ash, AK Das The Journal of Chemical Physics 143 (19), 2015 | 17 | 2015 |
| Strategy toward designing semiconducting polymer nanoparticle–multichomophoric dye assembly S Das, B Jana, T Debnath, A Ghoshal, AK Das, A Patra The Journal of Physical Chemistry C 121 (7), 4050-4059, 2017 | 16 | 2017 |
| Cyclic amine-borane adducts [C n H 2n+ 1 N· BH 3 (n= 2–6)] as chemical hydrogen storage systems: a computational analysis T Banu, K Sen, D Ghosh, T Debnath, AK Das RSC Advances 4 (3), 1352-1361, 2014 | 15 | 2014 |
| Structural and thermodynamic aspects of Li n @C x endohedral metallofullerenes: a DFT approach T Debnath, JK Saha, T Banu, T Ash, AK Das Theoretical Chemistry Accounts 135, 1-19, 2016 | 14 | 2016 |
| Investigation of agostic interaction through NBO analysis and its impact on β-hydride elimination and dehydrogenation: a DFT approach T Debnath, T Ash, T Banu, AK Das Theoretical Chemistry Accounts 135, 1-14, 2016 | 13 | 2016 |
| Exploration of unimolecular gas-phase detoxication pathways of sarin and soman: a computational study from the perspective of reaction energetics and kinetics T Ash, T Debnath, T Banu, AK Das Chemical research in toxicology 29 (9), 1439-1457, 2016 | 12 | 2016 |
| Selective binding of divalent cations toward heme proteins P Basak, T Debnath, R Banerjee, M Bhattacharyya Frontiers in biology 11, 32-42, 2016 | 12 | 2016 |
| 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 |
| Mechanistic Insight into the Molecular TiO2-Mediated Gas Phase Detoxication of DMMP: A Theoretical Approach T Ash, T Debnath, A Ghosh, AK Das Chemical Research in Toxicology 30 (5), 1177-1187, 2017 | 10 | 2017 |
| Molecular hydrogen binding affinities of metal cation decorated substituted benzene systems: insight from computational exploration T Banu, D Ghosh, T Debnath, K Sen, AK Das RSC Advances 5 (71), 57647-57656, 2015 | 10 | 2015 |
| Towards a comprehensive understanding of the chemical vapor deposition of titanium nitride using Ti (NMe 2) 4: a density functional theory approach K Sen, T Banu, T Debnath, D Ghosh, AK Das Dalton Transactions 43 (23), 8877-8887, 2014 | 8 | 2014 |
| Ammonia and borane activation by Tantalum Carbide cluster anion Ta2C4−: A theoretical approach S Banerjee, T Debnath, A Ghosh, AK Das international journal of hydrogen energy 46 (12), 8401-8410, 2021 | 7 | 2021 |
| Luminescent Au6 and Au8 nanoclusters from ligand induced etching of Au nanoparticles D Bain, S Maity, T Debnath, AK Das, A Patra Materials Research Express 6 (12), 124004, 2019 | 7 | 2019 |
| Exploration of Binding Interactions of Cu2+ with d-Penicillamine and its O- and Se- Analogues in Both Gas and Aqueous Phases: A Theoretical Approach T Ash, T Debnath, T Banu, AK Das The Journal of Physical Chemistry B 120 (14), 3467-3478, 2016 | 7 | 2016 |
| Catalytic role of borane and alane in hydrogen release from cyclic amine adducts C n H 2n+ 1 N· XH 3 [X= B, Al; n= 2–5]: a theoretical interpretation K Sen, T Banu, T Debnath, D Ghosh, AK Das RSC Advances 4 (42), 21924-21938, 2014 | 7 | 2014 |
| Reduction of sulfur dioxide using superalkalis: A theoretical perspective S Sarkar, T Debnath, AK Das Computational and Theoretical Chemistry 1202, 113317, 2021 | 6 | 2021 |
