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Subha Pratihar
Subha Pratihar
Arkansas Tech University
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Year
Direct chemical dynamics simulations
S Pratihar, X Ma, Z Homayoon, GL Barnes, WL Hase
Journal of the American Chemical Society 139 (10), 3570-3590, 2017
1412017
Properties of Complexes Formed by Na+, Mg2+, and Fe2+ Binding with Benzene Molecules
S Kolakkandy, S Pratihar, AJA Aquino, H Wang, WL Hase
The Journal of Physical Chemistry A 118 (40), 9500-9511, 2014
572014
Model Simulations of the Thermal Dissociation of the TIK(H+)2 Tripeptide: Mechanisms and Kinetic Parameters
Z Homayoon, S Pratihar, E Dratz, R Snider, R Spezia, GL Barnes, ...
The Journal of Physical Chemistry A 120 (42), 8211-8227, 2016
422016
Dynamics of protonated peptide ion collisions with organic surfaces: consonance of simulation and experiment
S Pratihar, GL Barnes, J Laskin, WL Hase
The journal of physical chemistry letters 7 (16), 3142-3150, 2016
392016
Role of chemical dynamics simulations in mass spectrometry studies of collision-induced dissociation and collisions of biological ions with organic surfaces
A Martin Somer, V Macaluso, GL Barnes, L Yang, S Pratihar, K Song, ...
Journal of the American Society for Mass Spectrometry 31 (1), 2-24, 2019
382019
A unified model for simulating liquid and gas phase, intermolecular energy transfer: N2+ C6F6 collisions
AK Paul, SC Kohale, S Pratihar, R Sun, SW North, WL Hase
The Journal of Chemical Physics 140 (19), 2014
362014
Unimolecular dissociation of peptides: statistical vs. non-statistical fragmentation mechanisms and time scales
R Spezia, A Martin-Somer, V Macaluso, Z Homayoon, S Pratihar, ...
Faraday Discussions 195, 599-618, 2016
332016
Chemical dynamics simulations of energy transfer, surface-induced dissociation, soft-landing, and reactive-landing in collisions of protonated peptide ions with organic surfaces
S Pratihar, GL Barnes, WL Hase
Chemical Society Reviews 45 (13), 3595-3608, 2016
332016
Energy and temperature dependent dissociation of the Na+ (benzene) 1, 2 clusters: Importance of anharmonicity
S Kolakkandy, AK Paul, S Pratihar, SC Kohale, GL Barnes, H Wang, ...
The Journal of Chemical Physics 142 (4), 2015
332015
A first principles molecular dynamics study of lithium atom solvation in binary liquid mixture of water and ammonia: Structural, electronic, and dynamical properties
S Pratihar, A Chandra
The Journal of Chemical Physics 134 (2), 2011
282011
Chemical Dynamics Simulation of Low Energy N2 Collisions with Graphite
M Majumder, HN Bhandari, S Pratihar, WL Hase
The Journal of Physical Chemistry C 122 (1), 612-623, 2018
232018
Chemical Dynamics Simulations of Intermolecular Energy Transfer: Azulene + N2 Collisions
H Kim, AK Paul, S Pratihar, WL Hase
The Journal of Physical Chemistry A 120 (27), 5187-5196, 2016
212016
Intermolecular Potential for Binding of Protonated Peptide Ions with Perfluorinated Hydrocarbon Surfaces
S Pratihar, SC Kohale, SA Vazquez, WL Hase
The Journal of Physical Chemistry B 118 (20), 5577-5588, 2014
212014
Electron solvation in water-ammonia mixed clusters: Structure, energetics, and the nature of localization states of the excess electron
S Pratihar, A Chandra
The Journal of chemical physics 126 (23), 2007
192007
Post-transition state dynamics and product energy partitioning following thermal excitation of the F⋯ HCH2CN transition state: Disagreement with experiment
S Pratihar, X Ma, J Xie, R Scott, E Gao, B Ruscic, AJA Aquino, DW Setser, ...
The Journal of Chemical Physics 147 (14), 2017
162017
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 …
S Pratihar, A Chandra
The Journal of Physical Chemistry A 114 (44), 11869-11878, 2010
162010
Chemical dynamics simulations of energy transfer for propylbenzene cation and He collisions
H Kim, B Saha, S Pratihar, M Majumder, WL Hase
The Journal of Physical Chemistry A 121 (40), 7494-7502, 2017
152017
Dynamics of energy transfer and soft-landing in collisions of protonated dialanine with perfluorinated self-assembled monolayer surfaces
S Pratihar, SC Kohale, DG Bhakta, J Laskin, WL Hase
Physical Chemistry Chemical Physics 16 (43), 23769-23778, 2014
142014
Chemical dynamics simulations of high energy xenon atom collisions with the {0001} surface of hexagonal ice
S Pratihar, SC Kohale, L Yang, P Manikandan, KD Gibson, DR Killelea, ...
The Journal of Physical Chemistry C 117 (5), 2183-2193, 2013
132013
Direct dynamics simulations of fragmentation of a Zn (II)-2Cys-2His oligopeptide. Comparison with mass spectrometry collision-induced dissociation
A Malik, YF Lin, S Pratihar, LA Angel, WL Hase
The Journal of Physical Chemistry A 123 (32), 6868-6885, 2019
122019
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