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Physical Chemistry Chemical Physics : PCCP|November 12, 2024
Structure and dynamics of aqueous VOSO<sub>4</sub> solutions in conventional flow through cell design: a molecular dynamics simulation studyAnwesa KarmakarThe Journal of Physical Chemistry. B|July 1, 2015
Water in Hydration Shell of an Iodide Ion: Structure and Dynamics of Solute-Water Hydrogen Bonds and Vibrational Spectral Diffusion from First-Principles SimulationsAnwesa Karmakar, Amalendu ChandraACS Omega|August 29, 2019
Water under Supercritical Conditions: Hydrogen Bonds, Polarity, and Vibrational Frequency Fluctuations from Ab Initio Simulations with a Dispersion Corrected Density FunctionalAnwesa Karmakar, Amalendu ChandraThe Journal of Chemical Physics|May 3, 2015
Ab initio molecular dynamics studies of hydrogen bonded structure, molecular motion, and frequency fluctuations of water in the vicinity of azide ionsAnwesa Karmakar, Amalendu ChandraPhysical Chemistry Chemical Physics : PCCP|August 31, 2019
Modeling solubility of CO<sub>2</sub> gas in room temperature ionic liquids using the COSMOSAC-LANL model: a first principles studyAnwesa Karmakar, Rangachary MukundanRSC Advances|May 6, 2022
Solubility model of metal complex in ionic liquids from first principle calculationsAnwesa Karmakar, Rangachary Mukundan, Ping Yang, et al.Physical Chemistry Chemical Physics : PCCP|September 15, 2021
Screening of metal complexes and organic solvents using the COSMOSAC-LANL model to enhance the energy density in a non-aqueous redox flow cell: an insight into the solubilityAnwesa Karmakar, Rangachary Mukundan, Ping Yang, et al.Journal of Chemical Theory and Computation|June 7, 2021
Efficient Parametrization of Force Field for the Quantitative Prediction of the Physical Properties of Ionic Liquid ElectrolytesNikhil V S Avula, Anwesa Karmakar, Rahul Kumar, et al.Journal of Colloid and Interface Science|July 5, 2016
A predictive model of reverse micelles solubilizing water for solvent extractionMichael Bley, Bertrand Siboulet, Anwesa Karmakar, et al.Pageof 1