| A cryogenic ice setup to simulate carbon atom reactions in interstellar ices D Qasim, MJA Witlox, G Fedoseev, KJ Chuang, T Banu, SA Krasnokutski, ... Review of Scientific Instruments 91 (5), 2020 | 20 | 2020 |
| 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 |
| Atmospheric Fate of Criegee Intermediate Formed During Ozonolysis of Styrene in the Presence of H2O and NH3: The Crucial Role of Stereochemistry T Banu, K Sen, AK Das The Journal of Physical Chemistry A 122 (42), 8377-8389, 2018 | 16 | 2018 |
| 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 |
| 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 | 14 | 2014 |
| 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 |
| 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 |
| Impact of metal-alkoxide functionalized linkers on H2 binding: A density functional study T Banu, A Ghosh, AK Das Chemical Physics Letters 658, 140-145, 2016 | 8 | 2016 |
| 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 |
| Structure, stability, and dissociation of small ionic silicon oxide clusters [SiOn+ (n= 3, 4)]: Insight from density functional and topological exploration K Sen, D Ghosh, S Pakhira, T Banu, AK Das The Journal of Chemical Physics 139 (23), 2013 | 8 | 2013 |
| 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 |
| 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 |
| Grain-Surface Hydrogen-Addition Reactions as a Chemical Link Between Cold Cores and Hot Corinos: The Case of H2CCS and CH3CH2SH CN Shingledecker, T Banu, Y Kang, H Wei, J Wandishin, G Nobis, ... The Journal of Physical Chemistry A 126 (32), 5343-5353, 2022 | 5 | 2022 |
| Comprehensive study of methylation on the silicon (100)-2× 1 surface: a density functional approach T Debnath, K Sen, D Ghosh, T Banu, AK Das The Journal of Physical Chemistry A 119 (20), 4939-4952, 2015 | 2 | 2015 |
| Catalytic role of borane and alane in hydrogen release from cyclic amine adducts CₙH₂ₙ₊ ₁N· XH₃ [X= B, Al; n= 2–5]: a theoretical interpretation K Sen, T Banu, T Debnath, D Ghosh, AK Das RSC advances 4 (42), 2014 | | 2014 |
| Structure, stability, and dissociation of small ionic silicon oxide clusters [SiO {sub n}{sup+}(n= 3, 4)]: Insight from density functional and topological exploration K Sen, D Ghosh, S Pakhira, T Banu Journal of Chemical Physics 139 (23), 2013 | | 2013 |
| Cyclic amine-borane adducts [CₙH₂ₙ₊ ₁N· BH₃ (n= 2–6)] as chemical hydrogen storage systems: a computational analysis T Banu, K Sen, D Ghosh, T Debnath, AK Das | | 2013 |
| THEORETICAL AND COMPUTATIONAL STUDIES OF HYDROGEN STORAGE MATERIALS T Banu | | |
