Effects of dispersion interactions on the structure, polarity, and dynamics of liquid-vapor interface of an aqueous NaCl solution: Results of first principles simulations at room t... von Roy Choudhuri, Jyoti, Chandra, Amalendu

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Structure, polarity, dynamics, and vibrational spectral diffusion of liquid–vapour interface of a water–methanol mixture from first principles simulation using dispersion corrected... von Roy Choudhuri, Jyoti

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Polyoxotungstate ([PW11O39](7-)) immobilized on mesoporous polymer for selective liquid-phase oxidation of alcohols using H2O2 von Churipard, Sathyapal R., Kanakikodi, Kempanna S., Choudhuri, Jyoti Roy, Maradur, Sanjeev P.

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Zero-dimensional bromobismuthate: Synthesis and characterization von Roy Choudhuri, Jyoti, Pandey, Souvik

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Zero dimensional iodobismuthate: Synthesis and optical property von Pandey, Souvik, Roy Choudhuri, Jyoti

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Graphynes: indispensable nanoporous architectures in carbon flatland von James, Anto, John, Chris, Owais, Cheriyacheruvakkara, Myakala, Stephen Nagaraju, Chandra Shekar, Sarap, Choudhuri, Jyoti Roy, Swathi, Rotti Srinivasamurthy

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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 inte... von Choudhuri, Jyoti Roy, Chandra, Amalendu

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Hydrogen bonded structure, polarity, molecular motion and frequency fluctuations at liquid-vapor interface of a water-methanol mixture: an ab initio molecular dynamics study von Choudhuri, Jyoti Roy, Chandra, Amalendu

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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 von Choudhuri, Jyoti Roy, Yadav, Vivek K., Karmakar, Anwesa, Mallik, Bhabani S., Chandra, Amalendu

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α-graphyne as a promising anode material for Na-ion batteries: a first-principles study von Singh, Tavinder, Choudhuri, Jyoti Roy, Rana, Malay Kumar

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Structure and Dynamics of the Liquid–Liquid Interface of an Aqueous NaCl Solution with Liquid Carbon Tetrachloride from First-Principles Simulations von Choudhuri, Jyoti Roy, Chandra, Amalendu

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Dynamic Response in Nanoelectrowetting on a Dielectric von Choudhuri, Jyoti Roy, Vanzo, Davide, Madden, Paul Anthony, Salanne, Mathieu, Bratko, Dusan, Luzar, Alenka

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Mesomorphic cyanobiphenyl appended thiols as anti-corrosive materials: Electrochemical and theoretical investigations von Shetty, S Kshama, Swamynathan, K, Choudhuri, Jyoti Roy, Shwetha, K, Upadhya, Sadhana H, Kumar, Sandeep

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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 von Choudhuri, Jyoti Roy, Chandra, Amalendu

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Performance of an anticonvulsant drug, expired gabapentin, on zinc corrosion in an acidic environment von Swetha, G. A., Sachin, H. P., Choudhuri, Jyoti Roy

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Experimental and theoretical investigation on the anti-corrosive potential of potassium ethyl xanthogenate for corrosion of mild steel in acidic media von Fatima, Saniya, Kshama Shetty, S, Choudhuri, Jyoti Roy, Swamynathan, K, Shwetha, K, Kumar, Sandeep

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Polyoxotungstate ([PW 11 O 39 ] 7- ) immobilized on mesoporous polymer for selective liquid-phase oxidation of alcohols using H 2 O 2 von Churipard, Sathyapal R, Kanakikodi, Kempanna S, Choudhuri, Jyoti Roy, Maradur, Sanjeev P

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A first principles molecular dynamics study of vibrational spectral diffusion and hydrogen bond dynamics in liquid methanol von Yadav, Vivek K., Karmakar, Anwesa, Choudhuri, Jyoti Roy, Chandra, Amalendu

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A first principles simulation study of vibrational spectral diffusion in aqueous NaBr solutions: Dynamics of water in ion hydration shells von Karmakar, Anwesa, Choudhuri, Jyoti Roy, Yadav, Vivek K., Mallik, Bhabani S., Chandra, Amalendu

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Polyoxotungstate ([PWO]) immobilized on mesoporous polymer for selective liquid-phase oxidation of alcohols using HO von Churipard, Sathyapal R, Kanakikodi, Kempanna S, Choudhuri, Jyoti Roy, Maradur, Sanjeev P

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