- B. L. Bhargava, R. Devane, M. L. Klein and S. Balasubramanian,
Nanoscale Organization in Room Temperature Ionic Liquids: A Coarse Grained Molecular Dynamics Simulation Study,
Soft Matter
3, 1395 - 1400 (2007).
- B. L. Bhargava and S. Balasubramanian,
Probing Anion-Carbon dioxide Interactions in Room Temperature Ionic Liquids: Gas Phase Cluster Calculations,
Chemical Physics Letters
444, 242 - 246 (2007).
- B. L. Bhargava and S. Balasubramanian,
A refined potential model for atomistic simulations of an ionic liquid, [bmim][PF6],
Journal of Chemical Physics
127, 114510 (2007).
- B. L. Bhargava and S. Balasubramanian,
Insights into the Structure and Dynamics of a Room Temperature Ionic Liquid: Ab Initio Molecular Dynamics Simulation Studies of [bmim][PF6] and the [bmim][PF6] - CO2 Mixture,
Journal of Physical Chemistry B
111, 4477 - 4487 (2007).
- M. Saharay and S. Balasubramanian,
Intermolecular Structure and Dynamics in Supercritical Carbon dioxide with Pressure: An Ab Initio Molecular Dynamics Study,
Journal of Physical Chemistry B
111, 387 - 392 (2007).
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