Arindam Bankura
Arindam Bankura
Central University of South Bihar
Verified email at cusb.ac.in
TitleCited byYear
Hydration structure of salt solutions from ab initio molecular dynamics
A Bankura, V Carnevale, ML Klein
The Journal of chemical physics 138 (1), 014501, 2013
1142013
Structure, dynamics, and spectral diffusion of water from first-principles molecular dynamics
A Bankura, A Karmakar, V Carnevale, A Chandra, ML Klein
The Journal of Physical Chemistry C 118 (50), 29401-29411, 2014
852014
Structure of water at charged interfaces: A molecular dynamics study
S Dewan, V Carnevale, A Bankura, A Eftekhari-Bafrooei, G Fiorin, ...
Langmuir 30 (27), 8056-8065, 2014
792014
Hydroxide ion can move faster than an excess proton through one-dimensional water chains in hydrophobic narrow pores
A Bankura, A Chandra
The Journal of Physical Chemistry B 116 (32), 9744-9757, 2012
302012
Hydration structure of Na+ and K+ from ab initio molecular dynamics based on modern density functional theory
A Bankura, V Carnevale, ML Klein
Molecular Physics 112 (9-10), 1448-1456, 2014
282014
A systematic study of chloride ion solvation in water using van der Waals inclusive hybrid density functional theory
A Bankura, B Santra, RA DiStasio Jr, CW Swartz, ML Klein, X Wu
Molecular Physics 113 (17-18), 2842-2854, 2015
212015
A first principles theoretical study of the hydration structure and dynamics of an excess proton in water clusters of varying size and temperature
A Bankura, A Chandra
Chemical Physics 387 (1-3), 92-102, 2011
212011
Hydration structure and dynamics of a hydroxide ion in water clusters of varying size and temperature: Quantum chemical and ab initio molecular dynamics studies
A Bankura, A Chandra
Chemical Physics 400, 154-164, 2012
162012
Proton transfer through hydrogen bonds in two-dimensional water layers: A theoretical study based on ab initio and quantum-classical simulations
A Bankura, A Chandra
The Journal of chemical physics 142 (4), 044701, 2015
132015
Proton affinity of the histidine-tryptophan cluster motif from the influenza A virus from ab initio molecular dynamics
A Bankura, ML Klein, V Carnevale
Chemical physics 422, 156-164, 2013
132013
Hydration and translocation of an excess proton in water clusters: Anab initio molecular dynamics study
A Bankura, A Chandra
Pramana 65 (4), 763, 2005
102005
A first principles molecular dynamics study of the solvation structure and migration kinetics of an excess proton and a hydroxide ion in binary water-ammonia mixtures
A Bankura, A Chandra
The Journal of chemical physics 136 (11), 114509, 2012
92012
Poly (benzodithieno-imidazole-alt-carbazole) based π-conjugated copolymers: Highly selective and sensitive turn-off fluorescent probes for Hg2+
D Giri, A Bankura, SK Patra
Polymer 158, 338-353, 2018
42018
PROTONIC DEFECTS IN LARGE WATER CLUSTERS AT FINITE TEMPERATURE
A BANKURA, A CHANDRA
Proceedings of the Indian National Science Academy: Physical sciences 71 (5 …, 2005
22005
Solvation of cations in biological channels
V Carnevale, A Bankura, L Delemotte, L Stock, W Treptow, ML Klein
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 248, 2014
2014
Accurate prediction of electronic and structural properties of aqueous chloride and hydroxide ion from modern density functional theory
A Bankura, ML Klein
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 248, 2014
2014
N-methylacetamide in the gravy of methanol: Ab initio molecular dynamics study
VK Yadav, A Bankura, ML Klein
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 248, 2014
2014
Systematic investigation of the electronic and structural properties of chloride ion in aqueous solution by advanced density functional
A Bankura, C Swartz, ML Klein, X Wu
APS March Meeting Abstracts, 2014
2014
Proton affinity of a histidine-tryptophan structural motif from ab initio molecular dynamics
A Bankura
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 244, 2012
2012
Migration of protonic defects in confined aqueous systems
A Bankura, A Chandra
The International Conference on Theory and Applications of Computational …, 2008
2008
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Articles 1–20