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The Journal of Physical Chemistry. B
|
April 25, 2019
Heterogeneous Occupancy and Vibrational Dynamics of Spatially Patterned Water Molecules
Sohag Biswas, Bhabani S Mallik
ACS Omega
|
April 5, 2021
Insignificant Effect of Temperature on the Structure and Angular Jumps of Water near a Hydrophobic Cation
Adyasa Priyadarsini, Bhabani S Mallik
Journal of Computational Chemistry
|
April 14, 2021
Comparative first principles-based molecular dynamics study of catalytic mechanism and reaction energetics of water oxidation reaction on 2D-surface
Adyasa Priyadarsini, Bhabani S Mallik
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 15, 2022
Multiple Ensembles of the Hydrogen-bonded Network in Ethylammonium Nitrate versus Water from Vibrational Spectral Dynamics of SCN<sup>-</sup> Probe
Aritri Biswas, Bhabani S Mallik
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
December 17, 2025
Cross-Multicarrousel Mechanism and Kinetics of Mn-PNP Catalyzed Diamide Formation from the Dehydrogenation of Alcohols and Diamines
Koushik Makhal, Bhabani S Mallik
The Journal of Physical Chemistry. B
|
September 17, 2010
Thermodynamic, structural and transport properties of tetramethyl ammonium fluoride: first principles molecular dynamics simulations of an unusual ionic liquid
Bhabani S Mallik, J Ilja Siepmann
Physical Chemistry Chemical Physics : PCCP
|
November 24, 2022
Surface-chemistry-driven water dissociation on cobalt-based graphene hybrid from molecular dynamics simulations
Koteswara Rao Gorantla, Bhabani S Mallik
The Journal of Physical Chemistry. A
|
May 20, 2022
Mechanistic Insights into Cobalt-Based Water Oxidation Catalysis by DFT-Based Molecular Dynamics Simulations
Koteswara Rao Gorantla, Bhabani S Mallik
The Journal of Physical Chemistry. A
|
April 24, 2023
Copper Complex Catalyzed Two-Electron and Proton Shuttle Mechanism of O-O Bond Formation from DFT-Based Metadynamics Simulations
Koteswara Rao Gorantla, Bhabani S Mallik
The Journal of Physical Chemistry. B
|
October 28, 2025
Thermophysical and Dynamics Perspective of Ions and Microstructures in Binary Salt K-Ion Battery Electrolytes
Ritesh G Nayak, Bhabani S Mallik
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of 14
Search research articles
Search
Showing results (31-40 of 136) with videos related to
Sort By:
Page
of 14
The Journal of Physical Chemistry. B
|
April 25, 2019
Heterogeneous Occupancy and Vibrational Dynamics of Spatially Patterned Water Molecules
Sohag Biswas, Bhabani S Mallik
ACS Omega
|
April 5, 2021
Insignificant Effect of Temperature on the Structure and Angular Jumps of Water near a Hydrophobic Cation
Adyasa Priyadarsini, Bhabani S Mallik
Journal of Computational Chemistry
|
April 14, 2021
Comparative first principles-based molecular dynamics study of catalytic mechanism and reaction energetics of water oxidation reaction on 2D-surface
Adyasa Priyadarsini, Bhabani S Mallik
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 15, 2022
Multiple Ensembles of the Hydrogen-bonded Network in Ethylammonium Nitrate versus Water from Vibrational Spectral Dynamics of SCN<sup>-</sup> Probe
Aritri Biswas, Bhabani S Mallik
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
December 17, 2025
Cross-Multicarrousel Mechanism and Kinetics of Mn-PNP Catalyzed Diamide Formation from the Dehydrogenation of Alcohols and Diamines
Koushik Makhal, Bhabani S Mallik
The Journal of Physical Chemistry. B
|
September 17, 2010
Thermodynamic, structural and transport properties of tetramethyl ammonium fluoride: first principles molecular dynamics simulations of an unusual ionic liquid
Bhabani S Mallik, J Ilja Siepmann
Physical Chemistry Chemical Physics : PCCP
|
November 24, 2022
Surface-chemistry-driven water dissociation on cobalt-based graphene hybrid from molecular dynamics simulations
Koteswara Rao Gorantla, Bhabani S Mallik
The Journal of Physical Chemistry. A
|
May 20, 2022
Mechanistic Insights into Cobalt-Based Water Oxidation Catalysis by DFT-Based Molecular Dynamics Simulations
Koteswara Rao Gorantla, Bhabani S Mallik
The Journal of Physical Chemistry. A
|
April 24, 2023
Copper Complex Catalyzed Two-Electron and Proton Shuttle Mechanism of O-O Bond Formation from DFT-Based Metadynamics Simulations
Koteswara Rao Gorantla, Bhabani S Mallik
The Journal of Physical Chemistry. B
|
October 28, 2025
Thermophysical and Dynamics Perspective of Ions and Microstructures in Binary Salt K-Ion Battery Electrolytes
Ritesh G Nayak, Bhabani S Mallik
Page
of 14