A. Karmakar

发表

Dynamics of vibrational spectral diffusion in water: Effects of dispersion interactions, temperature, density, system size and fictitious orbital mass

A. Chandra, A. Karmakar, 2018 .

Effects of dispersion interaction on vibrational spectral diffusion in aqueous NaBr solutions: An ab initio molecular dynamics study

A. Chandra, A. Karmakar, 2015 .

A first-principles theoretical study of hydrogen-bond dynamics and vibrational spectral diffusion in aqueous ionic solution: Water in the hydration shell of a fluoride ion

B. Mallik, A. Chandra, V. Yadav, 2012 .

Combined supramolecular and mesoscale modelling of liquid–liquid extraction of rare earth salts

J. Dufrêche, A. Karmakar, T. Zemb, 2018, Colloids and Surfaces A: Physicochemical and Engineering Aspects.

A predictive model of reverse micelles solubilizing water for solvent extraction.

J. Dufrêche, A. Karmakar, T. Zemb, 2016, Journal of colloid and interface science.

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 solubility.

R. Mukundan, A. Karmakar, E. Batista, 2021, Physical chemistry chemical physics : PCCP.

Ab initio molecular dynamics simulation of supercritical aqueous ionic solutions: Spectral diffusion of water in the vicinity of Br− and I− ions

A. Karmakar, 2019, Journal of Molecular Liquids.

Water under Supercritical Conditions: Hydrogen Bonds, Polarity, and Vibrational Frequency Fluctuations from Ab Initio Simulations with a Dispersion Corrected Density Functional

A. Chandra, A. Karmakar, 2018, ACS omega.

Water in Hydration Shell of an Iodide Ion: Structure and Dynamics of Solute-Water Hydrogen Bonds and Vibrational Spectral Diffusion from First-Principles Simulations.

A. Chandra, A. Karmakar, 2015, The journal of physical chemistry. B.

Ab initio molecular dynamics studies of hydrogen bonded structure, molecular motion, and frequency fluctuations of water in the vicinity of azide ions.

A. Chandra, A. Karmakar, 2015, The Journal of chemical physics.

Structure, Dynamics, and Spectral Diffusion of Water from First-Principles Molecular Dynamics

M. Klein, A. Chandra, V. Carnevale, 2014 .

A first principles simulation study of vibrational spectral diffusion in aqueous NaBr solutions: Dynamics of water in ion hydration shells

B. Mallik, A. Chandra, V. Yadav, 2013 .

Water in Hydration Shell of an Azide Ion: Structure and Dynamics of Solute-water Hydrogen Bonds and Vibrational Spectral Diffusion from First Principles Simulations At Supercritical Condition

A. Karmakar, 2019 .

Solubility model of metal complex in ionic liquids from first principle calculations

Ping Yang, R. Mukundan, A. Karmakar, 2019, RSC advances.

Modeling solubility of CO2 gas in room temperature ionic liquids using the COSMOSAC-LANL model: a first principles study.

R. Mukundan, A. Karmakar, 2019, Physical chemistry chemical physics : PCCP.

A first principles molecular dynamics study of vibrational spectral diffusion and hydrogen bond dynamics in liquid methanol

A. Chandra, V. Yadav, A. Karmakar, 2012 .