受强制性开放获取政策约束的文章 - Tamalika Ash了解详情
可在其他位置公开访问的文章：27 篇
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
强制性开放获取政策： Council of Scientific and Industrial Research, India
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
强制性开放获取政策： Council of Scientific and Industrial Research, India, Department of Science …
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
强制性开放获取政策： Council of Scientific and Industrial Research, India, Department of Science …
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
强制性开放获取政策： Council of Scientific and Industrial Research, India, Department of Science …
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
强制性开放获取政策： Council of Scientific and Industrial Research, India, Department of Science …
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
强制性开放获取政策： Council of Scientific and Industrial Research, India
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
强制性开放获取政策： Council of Scientific and Industrial Research, India, Department of Science …
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
强制性开放获取政策： Council of Scientific and Industrial Research, India
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
强制性开放获取政策： Council of Scientific and Industrial Research, India
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
强制性开放获取政策： Council of Scientific and Industrial Research, India
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
强制性开放获取政策： Council of Scientific and Industrial Research, India
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
强制性开放获取政策： Council of Scientific and Industrial Research, India
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
强制性开放获取政策： Council of Scientific and Industrial Research, India
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
强制性开放获取政策： Council of Scientific and Industrial Research, India
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
强制性开放获取政策： Council of Scientific and Industrial Research, India
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
强制性开放获取政策： Council of Scientific and Industrial Research, India
Prediction of stability constants of metal–ligand complexes by machine learning for the design of ligands with optimal metal ion selectivity
F Zahariev, T Ash, E Karunaratne, E Stender, MS Gordon, TL Windus, ...
The Journal of Chemical Physics 160 (4), 2024
强制性开放获取政策： US Department of Energy
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, 1-10, 2019
强制性开放获取政策： Council of Scientific and Industrial Research, India
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
强制性开放获取政策： Council of Scientific and Industrial Research, India
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
强制性开放获取政策： Council of Scientific and Industrial Research, India
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