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The Journal of Chemical Physics|October 22, 2005
Dynamics in a room-temperature ionic liquid: a computer simulation study of 1,3-dimethylimidazolium chlorideB L Bhargava, S BalasubramanianThe Journal of Physical Chemistry. B|June 3, 2008
Ab initio molecular dynamics simulation of a 1-ethyl-3-methylimidazolium fluoride-hydrogen fluoride mixtureB L Bhargava, S BalasubramanianThe Journal of Physical Chemistry. B|April 10, 2007
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 mixtureB L Bhargava, S BalasubramanianThe Journal of Physical Chemistry. B|August 11, 2015
Self-Assembly of Cations in Aqueous Solutions of Hydroxyl-Functionalized Ionic Liquids: Molecular Dynamics StudiesSourav Palchowdhury, B L BhargavaPhysical Chemistry Chemical Physics : PCCP|April 14, 2015
Effect of spacer chain length on the liquid structure of aqueous dicationic ionic liquid solutions: molecular dynamics studiesSourav Palchowdhury, B L BhargavaThe Journal of Physical Chemistry. B|January 25, 2018
Solvation of Methyl Lactate in Water: Molecular Dynamics StudiesSourav Palchowdhury, B L BhargavaJournal of Molecular Graphics & Modelling|December 9, 2023
Effect of electronegative atoms on π - π stacking and hydrogen bonding behavior in simple aromatic molecules - An Ab initio MD studySubhadip Banerjee, B L BhargavaThe Journal of Physical Chemistry. B|November 12, 2014
Ionic liquids at nonane-water interfaces: molecular dynamics studiesSourav Palchowdhury, B L BhargavaJournal of Molecular Graphics & Modelling|December 11, 2025
Effect of chain length on the structure of aqueous surfactin solutions: Molecular dynamics studiesLoknath Patro, B L BhargavaThe Journal of Physical Chemistry. B|April 13, 2026
Behavior of Imine-Based Oligomeric Surfactants in Bulk and at Interfaces: Molecular Dynamics PerspectiveLoknath Patro, B L BhargavaPageof 5