Items where Author is "Sharma, Bikramjit"

Article

Sharma, Bikramjit ; Chandra, Amalendu (2020) Dynamics of Water in the Solvation Shell of an Iodate Ion: A Born–Oppenheimer Molecular Dynamics Study The Journal of Physical Chemistry B, 124 (13). pp. 2618-2631. ISSN 1520-6106

Gupta, Astha ; Nigam, Shivansh ; Avasthi, Ilesha ; Sharma, Bikramjit ; Ateeq, Bushra ; Verma, Sandeep (2019) Caspase-3 mediated programmed cell death by a gold-stabilised peptide carbene Bioorganic & Medicinal Chemistry Letters, 29 (21). p. 126672. ISSN 0960894X

Sharma, Bikramjit ; Chandra, Amalendu (2019) Conformation-Induced Dynamical Heterogeneity of Water in the Solvation Shell of Zwitterionic γ-Aminobutyric Acid The Journal of Physical Chemistry B, 123 (38). pp. 7937-7946. ISSN 1520-6106

Sharma, Bikramjit ; Chandra, Amalendu (2018) Born–Oppenheimer Molecular Dynamics Simulations of a Bromate Ion in Water Reveal Its Dual Kosmotropic and Chaotropic Behavior The Journal of Physical Chemistry B, 122 (7). pp. 2090-2101. ISSN 1520-6106

Das, Banshi ; Sharma, Bikramjit ; Chandra, Amalendu (2018) Effects of tert-Butyl Alcohol on Water at the Liquid–Vapor Interface: Structurally Bulk-like but Dynamically Slow Interfacial Water The Journal of Physical Chemistry C, 122 (17). pp. 9374-9388. ISSN 1932-7447

Sharma, Bikramjit ; Chandra, Amalendu (2018) Nature of hydration shells of a polyoxy-anion with a large cationic centre: The case of iodate ion in water Journal of Computational Chemistry, 39 (19). pp. 1226-1235. ISSN 01928651

Sharma, Bikramjit ; Chandra, Amalendu (2018) On the issue of closed versus open forms of gamma-aminobutyric acid (GABA) in water: Ab initio molecular dynamics and metadynamics studies The Journal of Chemical Physics, 148 (19). p. 194503. ISSN 0021-9606

Sharma, Bikramjit ; Chandra, Amalendu (2017) Ab Initio Molecular Dynamics Simulation of the Phosphate Ion in Water: Insights into Solvation Shell Structure, Dynamics, and Kosmotropic Activity The Journal of Physical Chemistry B, 121 (46). pp. 10519-10529. ISSN 1520-6106