Search Results - "Bhargava, B. L" :: K.UTB vyhledávací portál

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Refined potential model for atomistic simulations of ionic liquid [bmim][PF6]

by Bhargava, B L, Balasubramanian, S
Published in The Journal of chemical physics (21.09.2007)

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Exploring the candidates for a new protein folding - cross-α amyloid - in available protein databases

by Das, Mitradip, Bhargava, B. L
Published in Physical chemistry chemical physics : PCCP (28.10.2020)

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Layering at an Ionic Liquid−Vapor Interface: A Molecular Dynamics Simulation Study of [bmim][PF6]

by Bhargava, B. L, Balasubramanian, S
Published in Journal of the American Chemical Society (09.08.2006)

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Effect of Cation Asymmetry on the Aggregation in Aqueous 1‑Alkyl,3-decylimidazolium Bromide Solutions: Molecular Dynamics Studies

by Palchowdhury, Sourav, Bhargava, B. L
Published in The journal of physical chemistry. B (12.06.2014)

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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

by Bhargava, B. L, Balasubramanian, S
Published in The journal of physical chemistry. B (03.05.2007)

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Modelling room temperature ionic liquids

by Bhargava, B L, Balasubramanian, Sundaram, Klein, Michael L
Published in Chemical communications (Cambridge, England) (01.01.2008)

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Self-Assembly of Cations in Aqueous Solutions of Multiheaded Cationic Surfactants: All Atom Molecular Dynamics Simulation Studies

by Sharma, Anirban, Bhargava, B. L
Published in The journal of physical chemistry. B (06.12.2018)

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Dynamics in a room-temperature ionic liquid: a computer simulation study of 1,3-dimethylimidazolium chloride

by Bhargava, B L, Balasubramanian, S
Published in The Journal of chemical physics (08.10.2005)

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Solvation of Methyl Lactate in Water: Molecular Dynamics Studies

by Palchowdhury, Sourav, Bhargava, B. L
Published in The journal of physical chemistry. B (22.02.2018)

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Computational studies of room temperature ionic liquid-water mixtures

by Bhargava, B L, Yasaka, Yoshiro, Klein, Michael L
Published in Chemical communications (Cambridge, England) (01.01.2011)

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Segregation of ions at the interface: molecular dynamics studies of the bulk and liquid-vapor interface structure of equimolar binary mixtures of ionic liquids

by Palchowdhury, Sourav, Bhargava, B L
Published in Physical chemistry chemical physics : PCCP (01.01.2015)

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Self-Assembly of Cations in Aqueous Solutions of Hydroxyl-Functionalized Ionic Liquids: Molecular Dynamics Studies

by Palchowdhury, Sourav, Bhargava, B. L
Published in The journal of physical chemistry. B (03.09.2015)

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Nanoscale Organization in Aqueous Dicationic Ionic Liquid Solutions

by Bhargava, B. L, Klein, Michael L
Published in The journal of physical chemistry. B (08.09.2011)

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Molecular Dynamics Studies of Cation Aggregation in the Room Temperature Ionic Liquid [C10mim][Br] in Aqueous Solution

by Bhargava, B. L, Klein, Michael L
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (12.03.2009)

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Ionic Liquids at Nonane–Water Interfaces: Molecular Dynamics Studies

by Palchowdhury, Sourav, Bhargava, B. L
Published in The journal of physical chemistry. B (04.12.2014)

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Initial Stages of Aggregation in Aqueous Solutions of Ionic Liquids: Molecular Dynamics Studies

by Bhargava, B. L, Klein, Michael L
Published in The journal of physical chemistry. B (16.07.2009)

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Formation of Interconnected Aggregates in Aqueous Dicationic Ionic Liquid Solutions

by Bhargava, B. L, Klein, Michael L
Published in Journal of chemical theory and computation (09.03.2010)

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Hydrogen Evolution from Formic Acid in an Ionic Liquid Solvent: A Mechanistic Study by ab Initio Molecular Dynamics

by Bhargava, B. L, Yasaka, Yoshiro, Klein, Michael L
Published in The journal of physical chemistry. B (08.12.2011)

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Molecular dynamics simulation studies of CO₂ - [bmim][PF₆] solutions: Effect of CO₂ concentration

by Bhargava, B.L, Krishna, A.C, Balasubramanian, S
Published in AIChE journal (01.11.2008)

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Ab Initio Molecular Dynamics Simulation of a 1-Ethyl-3-methylimidazolium Fluoride−Hydrogen Fluoride Mixture

by Bhargava, B. L, Balasubramanian, S
Published in The journal of physical chemistry. B (26.06.2008)

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