| 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 |
| 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 |
| 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 |
| 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 |
| Dehydrogenation of lithium hydrazinidoborane: Insight from computational analysis T Banu, K Sen, T Ash, AK Das International Journal of Hydrogen Energy 41 (42), 18953-18962, 2016 | 7 | 2016 |
| 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 |
| Computational insights into the multi‐Diels–Alder reactions of neutral C60 and its Li+ encapsulated analogue: A density functional theory study T Ash, S Banerjee, T Debnath, AK Das International Journal of Quantum Chemistry 122 (2), e26824, 2022 | 5 | 2022 |
| Be2+ and Mg2+-decorated sulflower: Potential systems for molecular hydrogen storage S Banerjee, T Ash, T Debnath, AK Das International Journal of Hydrogen Energy 46 (34), 17827-17839, 2021 | 5 | 2021 |
| Theoretical exploration of H2X (X = O, S, Se) and HY (Y = F, Cl, Br) assisted H2-release from ammonia-borane and related compounds: mechanistic … A Ghosh, T Ash, T Debnath, AK Das Theoretical Chemistry Accounts 137, 1-12, 2018 | 5 | 2018 |
| Mechanistic Insight into the Enhancement of Reactivity of in Comparison with Neutral and EMFs towards Different Fundamental Reactions: A DFT Approach T Debnath, T Ash, JK Saha, AK Das ChemistrySelect 2 (14), 4039-4053, 2017 | 4 | 2017 |
| Exploring the effect of complexant on remarkably high static and dynamic second hyperpolarizability of aziridine-based diffuse electron systems: a theoretical study RS Roy, A Ghosh, T Ash, S Banerjee, AK Das Structural Chemistry 34 (2), 539-551, 2023 | 3 | 2023 |
| Comprehensive understanding of multiple binding of D-penicillamine with Cu2+-hexa aqua complex: a DFT approach T Ash, T Debnath, A Ghosh, AK Das Structural Chemistry 31, 155-169, 2020 | 3 | 2020 |
| Dehydrocyclization of diamine borane and amine-borane alcohol catalyzed by 1-lithio-2-alkyl-1, 2-dihydropyridine and its Na & K analogues: A DFT analysis of the reaction mechanism A Ghosh, T Debnath, T Ash, AK Das International Journal of Hydrogen Energy 44 (54), 28731-28745, 2019 | 3 | 2019 |
| H2-release from alcohols, diols, and compounds with amino functionality promoted by titanium(II) sandwich complex, [Cp2Ti]: a theoretical approach A Ghosh, T Ash, T Debnath, AK Das Structural Chemistry 30, 681-690, 2019 | 3 | 2019 |
| Theoretical analysis of tautomerization of succinimide and analogous compounds: insights from DFT approach S Sarkar, T Ash, T Debnath, AK Das Structural Chemistry 29, 881-896, 2018 | 3 | 2018 |
| Ru‐Catalyzed Cross Dehydrogenative Coupling Leading to Si− O and Si− S Bond Formations and Also Stimulating an Alternative Scope for Hydrogenation of C= O, C= N and N= N Bonds A Ghosh, T Debnath, T Ash, S Banerjee, AK Das ChemistrySelect 5 (47), 14900-14910, 2020 | 2 | 2020 |
| Comprehensive Understanding of Bi‐functional Behavior of PNP‐Pincer Complexes Towards the Conversion of CO into Methanol and CO2: A DFT Approach T Ash, T Debnath, AK Das ChemistrySelect 4 (36), 10777-10786, 2019 | 2 | 2019 |
Tanay DebnathPostdoctoral Fellow, University of Texas at DallasVerified email at utdallas.edu
