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B. Lokegowda Bhargava
Observed names:
B L Bhargava,
B. L. Bhargava,
B.L. Bhargava,
Bhargava, B. L.
Institutions:
National Institute of Science Education and Research,
Homi Bhabha National Institute
Observed institutions:
Jawaharlal Nehru Centre for Advanced Scientific Research,
National Institute of Science Education and Research,
Homi Bhabha National Institute,
University of Pennsylvania,
Temple University
ORCID:
0000-0003-0042-3831
Observed ORCID:
0000-0003-0042-3831
OpenAlex ID:
A5050335262
Refined potential model for atomistic simulations of ionic liquid [bmim][PF6]
2007
·
B. L. Bhargava
, S. Balasubramanian
·
The Journal of Chemical Physics
·
382
Nanoscale organization in room temperature ionic liquids: a coarse grained molecular dynamics simulation study
2007
·
B. Lokegowda Bhargava
, Russell Devane
, et al.
·
Soft Matter
·
203
Layering at an Ionic Liquid−Vapor Interface: A Molecular Dynamics Simulation Study of [bmim][PF6]
2006
·
B. L. Bhargava
, S. Balasubramanian
·
Journal of the American Chemical Society
·
197
Intermolecular structure and dynamics in an ionic liquid: A Car–Parrinello molecular dynamics simulation study of 1,3-dimethylimidazolium chloride
2005
·
B.L. Bhargava
, S. Balasubramanian
·
Chemical Physics Letters
·
188
Modelling room temperature ionic liquids
2008
·
B. L. Bhargava
, Sundaram Balasubramanian
, et al.
·
Chemical Communications
·
171
Dynamics in a room-temperature ionic liquid: A computer simulation study of 1,3-dimethylimidazolium chloride
2005
·
B. L. Bhargava
, S. Balasubramanian
·
The Journal of Chemical Physics
·
169
Insights into the Structure and Dynamics of a Room-Temperature Ionic Liquid: Ab Initio Molecular Dynamics Simulation Studies of 1-n-Butyl-3-methylimidazolium Hexafluorophosphate ([bmim][PF6]) and the [bmim][PF6]−CO2 Mixture
2007
·
B. L. Bhargava
, S. Balasubramanian
·
The Journal of Physical Chemistry B
·
157
Probing anion–carbon dioxide interactions in room temperature ionic liquids: Gas phase cluster calculations
2007
·
B.L. Bhargava
, S. Balasubramanian
·
Chemical Physics Letters
·
118
Computational studies of room temperature ionic liquid–water mixtures
2011
·
B. L. Bhargava
, Yoshiro Yasaka
, et al.
·
Chemical Communications
·
111
Molecular Dynamics Studies of Cation Aggregation in the Room Temperature Ionic Liquid [C10mim][Br] in Aqueous Solution
2008
·
B. L. Bhargava
, Michael L. Klein
·
The Journal of Physical Chemistry A
·
73
Aqueous solutions of imidazolium ionic liquids: molecular dynamics studies
2009
·
B. L. Bhargava
, Michael L. Klein
·
Soft Matter
·
67
Initial Stages of Aggregation in Aqueous Solutions of Ionic Liquids: Molecular Dynamics Studies
2009
·
B. L. Bhargava
, Michael L. Klein
·
The Journal of Physical Chemistry B
·
54
Formation of Interconnected Aggregates in Aqueous Dicationic Ionic Liquid Solutions
2010
·
B. L. Bhargava
, Michael L. Klein
·
Journal of Chemical Theory and Computation
·
52
Molecular dynamics simulation studies of CO2 – [bmim][PF6] solutions: Effect of CO2 concentration
2008
·
B. L. Bhargava
, A. C. Krishna
, et al.
·
AIChE Journal
·
50
Formation of micelles in aqueous solutions of a room temperature ionic liquid: a study using coarse grained molecular dynamics
2009
·
B.L. Bhargava
, Michael L. Klein
·
Molecular Physics
·
47
Structural Correlations and Charge Ordering in a Room‐Temperature Ionic Liquid
2007
·
B. Lokegowda Bhargava
, Michael L. Klein
, et al.
·
ChemPhysChem
·
44
Molecular dynamics investigation of non-ionic deep eutectic solvents
2022
·
Deepak Kumar Panda
, B.L. Bhargava
·
Journal of Molecular Graphics and Modelling
·
39
Nanoscale Organization in Aqueous Dicationic Ionic Liquid Solutions
2011
·
B. L. Bhargava
, Michael L. Klein
·
The Journal of Physical Chemistry B
·
36
Surface Structure and Dynamics of Ions at the Liquid–Vapor Interface of Binary Ionic Liquid Mixtures: Molecular Dynamics Studies
2016
·
Sourav Palchowdhury
, B. L. Bhargava
·
The Journal of Physical Chemistry C
·
33
Intermolecular interactions in tetrabutylammonium chloride based deep eutectic solvents: Classical molecular dynamics studies
2021
·
Deepak Kumar Panda
, B.L. Bhargava
·
Journal of Molecular Liquids
·
31
Effect of Cation Asymmetry on the Aggregation in Aqueous 1-Alkyl,3-decylimidazolium Bromide Solutions: Molecular Dynamics Studies
2014
·
Sourav Palchowdhury
, B. L. Bhargava
·
The Journal of Physical Chemistry B
·
29
Segregation of ions at the interface: molecular dynamics studies of the bulk and liquid–vapor interface structure of equimolar binary mixtures of ionic liquids
2015
·
Sourav Palchowdhury
, B. L. Bhargava
·
Physical Chemistry Chemical Physics
·
27
Hydrogen Evolution from Formic Acid in an Ionic Liquid Solvent: A Mechanistic Study by ab Initio Molecular Dynamics
2011
·
B. L. Bhargava
, Yoshiro Yasaka
, et al.
·
The Journal of Physical Chemistry B
·
26
Ab Initio Molecular Dynamics Simulation of a 1-Ethyl-3-methylimidazolium Fluoride−Hydrogen Fluoride Mixture
2008
·
B. L. Bhargava
, S. Balasubramanian
·
The Journal of Physical Chemistry B
·
26
Erratum: “Dynamics in a room temperature ionic liquid: A computer simulation study of 1,3-dimethylimidazolium chloride” [J. Chem. Phys. 123, 144505 (2005)]
2006
·
B. L. Bhargava
, S. Balasubramanian
·
The Journal of Chemical Physics
·
23
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Works count:
70
Citation count:
2,587
H-index:
24
I10-index:
34
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