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The Journal of Physical Chemistry. A
|
October 21, 2010
Excess electron and lithium atom solvation in water clusters at finite temperature: an ab initio molecular dynamics study of the structural, spectral, and dynamical behavior of (H2O)6- and Li(H2O)6
Subha Pratihar, Amalendu Chandra
The Journal of Chemical Physics
|
July 16, 2008
Microscopic solvation of a lithium atom in water-ammonia mixed clusters: solvent coordination and electron localization in presence of a counterion
Subha Pratihar, Amalendu Chandra
The Journal of Chemical Physics
|
January 19, 2011
A first principles molecular dynamics study of lithium atom solvation in binary liquid mixture of water and ammonia: structural, electronic, and dynamical properties
Subha Pratihar, Amalendu Chandra
The Journal of Chemical Physics
|
June 30, 2007
Electron solvation in water-ammonia mixed clusters: Structure, energetics, and the nature of localization states of the excess electron
Subha Pratihar, Amalendu Chandra
The Journal of Chemical Physics
|
January 26, 2011
A first principles molecular dynamics study of excess electron and lithium atom solvation in water-ammonia mixed clusters: structural, spectral, and dynamical behaviors of [(H2O)5NH3]- and Li(H2O)5NH3 at finite temperature
Subha Pratihar, Amalendu Chandra
The Journal of Physical Chemistry. A
|
January 6, 2021
Direct Dynamics Simulations of the <sup>3</sup>CH<sub>2</sub> + <sup>3</sup>O<sub>2</sub> Reaction at High Temperature
Sandhiya Lakshmanan, Subha Pratihar, William L Hase
The Journal of Physical Chemistry. A
|
April 30, 2019
Direct Dynamics Simulations of the CH<sub>2</sub> + O<sub>2</sub> Reaction on the Ground- and Excited-State Singlet Surfaces
Sandhiya Lakshmanan, Subha Pratihar, William L Hase
The Journal of Physical Chemistry Letters
|
March 13, 2018
Chemical Dynamics Simulations of Thermal Desorption of Protonated Dialanine from a Perfluorinated Self-Assembled Monolayer Surface
Swapnil C Kohale, Subha Pratihar, William L Hase
Chemical Society Reviews
|
November 14, 2015
Chemical dynamics simulations of energy transfer, surface-induced dissociation, soft-landing, and reactive-landing in collisions of protonated peptide ions with organic surfaces
Subha Pratihar, George L Barnes, William L Hase
The Journal of Physical Chemistry. A
|
February 7, 2020
Direct Dynamics Simulations of the Unimolecular Decomposition of the Randomly Excited <sup>1</sup>CH<sub>2</sub>O<sub>2</sub> Criegee Intermediate. Comparison with <sup>3</sup>CH<sub>2</sub> + <sup>3</sup>O<sub>2</sub> Reaction Dynamics
Yuxuan Yao, Sandhiya Lakshmanan, Subha Pratihar, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 27) with videos related to
Sort By:
Page
of 3
The Journal of Physical Chemistry. A
|
October 21, 2010
Excess electron and lithium atom solvation in water clusters at finite temperature: an ab initio molecular dynamics study of the structural, spectral, and dynamical behavior of (H2O)6- and Li(H2O)6
Subha Pratihar, Amalendu Chandra
The Journal of Chemical Physics
|
July 16, 2008
Microscopic solvation of a lithium atom in water-ammonia mixed clusters: solvent coordination and electron localization in presence of a counterion
Subha Pratihar, Amalendu Chandra
The Journal of Chemical Physics
|
January 19, 2011
A first principles molecular dynamics study of lithium atom solvation in binary liquid mixture of water and ammonia: structural, electronic, and dynamical properties
Subha Pratihar, Amalendu Chandra
The Journal of Chemical Physics
|
June 30, 2007
Electron solvation in water-ammonia mixed clusters: Structure, energetics, and the nature of localization states of the excess electron
Subha Pratihar, Amalendu Chandra
The Journal of Chemical Physics
|
January 26, 2011
A first principles molecular dynamics study of excess electron and lithium atom solvation in water-ammonia mixed clusters: structural, spectral, and dynamical behaviors of [(H2O)5NH3]- and Li(H2O)5NH3 at finite temperature
Subha Pratihar, Amalendu Chandra
The Journal of Physical Chemistry. A
|
January 6, 2021
Direct Dynamics Simulations of the <sup>3</sup>CH<sub>2</sub> + <sup>3</sup>O<sub>2</sub> Reaction at High Temperature
Sandhiya Lakshmanan, Subha Pratihar, William L Hase
The Journal of Physical Chemistry. A
|
April 30, 2019
Direct Dynamics Simulations of the CH<sub>2</sub> + O<sub>2</sub> Reaction on the Ground- and Excited-State Singlet Surfaces
Sandhiya Lakshmanan, Subha Pratihar, William L Hase
The Journal of Physical Chemistry Letters
|
March 13, 2018
Chemical Dynamics Simulations of Thermal Desorption of Protonated Dialanine from a Perfluorinated Self-Assembled Monolayer Surface
Swapnil C Kohale, Subha Pratihar, William L Hase
Chemical Society Reviews
|
November 14, 2015
Chemical dynamics simulations of energy transfer, surface-induced dissociation, soft-landing, and reactive-landing in collisions of protonated peptide ions with organic surfaces
Subha Pratihar, George L Barnes, William L Hase
The Journal of Physical Chemistry. A
|
February 7, 2020
Direct Dynamics Simulations of the Unimolecular Decomposition of the Randomly Excited <sup>1</sup>CH<sub>2</sub>O<sub>2</sub> Criegee Intermediate. Comparison with <sup>3</sup>CH<sub>2</sub> + <sup>3</sup>O<sub>2</sub> Reaction Dynamics
Yuxuan Yao, Sandhiya Lakshmanan, Subha Pratihar, et al.
Page
of 3