Items where Author is "Yadav, Sushma"

Yadav, Sushma ; Chandra, Amalendu (2020) Solvation Shell of the Nitrite Ion in Water: An Ab Initio Molecular Dynamics Study The Journal of Physical Chemistry B, 124 (33). pp. 7194-7204. ISSN 1520-6106

Yadav, Sushma ; Chandra, Amalendu (2020) Transport of hydrated nitrate and nitrite ions through graphene nanopores in aqueous medium Journal of Computational Chemistry, 41 (20). pp. 1850-1858. ISSN 0192-8651

Yadav, Sushma ; Chandra, Amalendu (2018) Structural and Dynamical Nature of Hydration Shells of the Carbonate Ion in Water: An Ab Initio Molecular Dynamics Study The Journal of Physical Chemistry B, 122 (4). pp. 1495-1504. ISSN 1520-6106

Yadav, Sushma ; Choudhary, Ashu ; Chandra, Amalendu (2017) A First-Principles Molecular Dynamics Study of the Solvation Shell Structure, Vibrational Spectra, Polarity, and Dynamics around a Nitrate Ion in Aqueous Solution The Journal of Physical Chemistry B, 121 (38). pp. 9032-9044. ISSN 1520-6106

Yadav, Sushma ; Chandra, Amalendu (2017) Preferential solvation, ion pairing, and dynamics of concentrated aqueous solutions of divalent metal nitrate salts The Journal of Chemical Physics, 147 (24). p. 244503. ISSN 0021-9606

Zafrullah, Mohammad ; Khursheed, Zenab ; Yadav, Sushma ; Sahgal, Deepak ; Jameel, Shahid ; Ahmad, Faizan (2004) Acidic pH enhances structure and structural stability of the capsid protein of hepatitis E virus Biochemical and Biophysical Research Communications, 313 (1). pp. 67-73. ISSN 0006-291X