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Chemical Research in Toxicology
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August 11, 2016
Exploration of Unimolecular Gas-Phase Detoxication Pathways of Sarin and Soman: A Computational Study from the Perspective of Reaction Energetics and Kinetics
Tamalika Ash, Tanay Debnath, Tahamida Banu, et al.
The Journal of Chemical Physics
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November 23, 2015
Hydrolysis of ammonia borane and metal amidoboranes: A comparative study
Tahamida Banu, Tanay Debnath, Tamalika Ash, et al.
The Journal of Physical Chemistry. B
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March 23, 2016
Exploration of Binding Interactions of Cu(2+) with d-Penicillamine and its O- and Se- Analogues in Both Gas and Aqueous Phases: A Theoretical Approach
Tamalika Ash, Tanay Debnath, Tahamida Banu, et al.
Journal of Molecular Graphics & Modelling
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August 14, 2022
Dual modification to stabilize Non-IPR C<sub>72</sub> fullerene: A new theoretical strategy
Soumadip Banerjee, Tamalika Ash, Tanay Debnath, et al.
Journal of Molecular Modeling
|
September 23, 2018
Towards a comprehensive understanding of the Si(100)-2×1 surface termination through hydrogen passivation using methylamine and methanol: a theoretical approach
Tanay Debnath, Tamalika Ash, Subhendu Sarkar, et al.
Journal of Molecular Modeling
|
June 26, 2017
Identification and characterization of intramolecular γ-halo interaction in d<sup>0</sup> complexes: a theoretical approach
Tanay Debnath, Tamalika Ash, Subhendu Sarkar, et al.
Chemical Research in Toxicology
|
April 14, 2017
Mechanistic Insight into the Molecular TiO<sub>2</sub>-Mediated Gas Phase Detoxication of DMMP: A Theoretical Approach
Tamalika Ash, Tanay Debnath, Avik Ghosh, et al.
Langmuir : the ACS Journal of Surfaces and Colloids
|
March 3, 2025
Unraveling Polymer-Water Interaction: Ab Initio Insights into Neutral Polymer Hydration
Sara A Tolba, Amara Arshad, Tamalika Ash, et al.
Physical Chemistry Chemical Physics : PCCP
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December 11, 2024
DFT investigation of the impact of inner-sphere water molecules on RE nitrate binding to internal pore and external surface of MCM-22
Tamalika Ash, Yong Han, James W Evans, et al.
Journal of Molecular Graphics & Modelling
|
November 24, 2018
Exploration of M(100)-2×1 (M=Si, Ge) surface termination through hydrogen passivation using ethane and ammonia-borane derivatives: A theoretical approach
Tanay Debnath, Tamalika Ash, Subhendu Sarkar, et al.
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Search research articles
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Showing results (1-10 of 14) with videos related to
Sort By:
Page
of 2
Chemical Research in Toxicology
|
August 11, 2016
Exploration of Unimolecular Gas-Phase Detoxication Pathways of Sarin and Soman: A Computational Study from the Perspective of Reaction Energetics and Kinetics
Tamalika Ash, Tanay Debnath, Tahamida Banu, et al.
The Journal of Chemical Physics
|
November 23, 2015
Hydrolysis of ammonia borane and metal amidoboranes: A comparative study
Tahamida Banu, Tanay Debnath, Tamalika Ash, et al.
The Journal of Physical Chemistry. B
|
March 23, 2016
Exploration of Binding Interactions of Cu(2+) with d-Penicillamine and its O- and Se- Analogues in Both Gas and Aqueous Phases: A Theoretical Approach
Tamalika Ash, Tanay Debnath, Tahamida Banu, et al.
Journal of Molecular Graphics & Modelling
|
August 14, 2022
Dual modification to stabilize Non-IPR C<sub>72</sub> fullerene: A new theoretical strategy
Soumadip Banerjee, Tamalika Ash, Tanay Debnath, et al.
Journal of Molecular Modeling
|
September 23, 2018
Towards a comprehensive understanding of the Si(100)-2×1 surface termination through hydrogen passivation using methylamine and methanol: a theoretical approach
Tanay Debnath, Tamalika Ash, Subhendu Sarkar, et al.
Journal of Molecular Modeling
|
June 26, 2017
Identification and characterization of intramolecular γ-halo interaction in d<sup>0</sup> complexes: a theoretical approach
Tanay Debnath, Tamalika Ash, Subhendu Sarkar, et al.
Chemical Research in Toxicology
|
April 14, 2017
Mechanistic Insight into the Molecular TiO<sub>2</sub>-Mediated Gas Phase Detoxication of DMMP: A Theoretical Approach
Tamalika Ash, Tanay Debnath, Avik Ghosh, et al.
Langmuir : the ACS Journal of Surfaces and Colloids
|
March 3, 2025
Unraveling Polymer-Water Interaction: Ab Initio Insights into Neutral Polymer Hydration
Sara A Tolba, Amara Arshad, Tamalika Ash, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 11, 2024
DFT investigation of the impact of inner-sphere water molecules on RE nitrate binding to internal pore and external surface of MCM-22
Tamalika Ash, Yong Han, James W Evans, et al.
Journal of Molecular Graphics & Modelling
|
November 24, 2018
Exploration of M(100)-2×1 (M=Si, Ge) surface termination through hydrogen passivation using ethane and ammonia-borane derivatives: A theoretical approach
Tanay Debnath, Tamalika Ash, Subhendu Sarkar, et al.
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of 2