J. R. Choudhuri

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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 .

α-graphyne as a promising anode material for Na-ion batteries: a first-principles study

M. K. Rana, J. R. Choudhuri, Tavinder Singh, 2022, Nanotechnology.

Experimental and theoretical investigation on the anti-corrosive potential of potassium ethyl xanthogenate for corrosion of mild steel in acidic media

Surinder Kumar, K. Swamynathan, S. Fatima, 2022, Journal of Chemical Sciences.

Structure and Dynamics of the Liquid–Liquid Interface of an Aqueous NaCl Solution with Liquid Carbon Tetrachloride from First-Principles Simulations

A. Chandra, J. R. Choudhuri, 2014 .

Zero dimensional iodobismuthate: Synthesis and optical property

Souvik Pandey, J. R. Choudhuri, 2021, Materials Today: Proceedings.

Structure, polarity, dynamics, and vibrational spectral diffusion of liquid–vapour interface of a water–methanol mixture from first principles simulation using dispersion corrected density functional

J. R. Choudhuri, 2018 .

An ab initio molecular dynamics study of the liquid-vapor interface of an aqueous NaCl solution: inhomogeneous density, polarity, hydrogen bonds, and frequency fluctuations of interfacial molecules.

A. Chandra, J. R. Choudhuri, 2014, The Journal of chemical physics.

Hydrogen bonded structure, polarity, molecular motion and frequency fluctuations at liquid-vapor interface of a water-methanol mixture: an ab initio molecular dynamics study.

Amalendu Chandra, A. Chandra, Jyoti Roy Choudhuri, 2014, The Journal of chemical physics.

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 .

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

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

Graphynes: indispensable nanoporous architectures in carbon flatland

Jyoti Roy Choudhuri, Anto James, C. John, 2018, RSC advances.

Performance of an anticonvulsant drug, expired gabapentin, on zinc corrosion in an acidic environment

H. Sachin, J. R. Choudhuri, G. Swetha, 2023, Emergent Materials.

An ab initio molecular dynamics study of the hydrogen bonded structure, dynamics and vibrational spectral diffusion of water in the ion hydration shell of a superoxide ion

A. Chandra, J. R. Choudhuri, 2014 .

Dynamic Response in Nanoelectrowetting on a Dielectric.

D. Bratko, P. Madden, M. Salanne, 2016, ACS nano.

Polyoxotungstate ([PW11O39]7−) immobilized on mesoporous polymer for selective liquid-phase oxidation of alcohols using H2O2

Sathyapal R. Churipard, Kempanna S. Kanakikodi, Jyoti Roy Choudhuri, 2020, RSC advances.

Wetting transition of a nanodrop on switchable hydrophilic-hydrophobic surfaces

P. Nath, J. R. Choudhuri, 2020 .