Bikramjit Sharma

发表

Solvent Effects in the Ultraviolet and X-ray Absorption Spectra of Pyridazine in Aqueous Solution.

C. Hättig, S. Tsuru, Bikramjit Sharma, 2021, The journal of physical chemistry. A.

Dynamics of Water in the Solvation Shell of an Iodate Ion: A Born-Oppenheimer Molecular Dynamics Study.

A. Chandra, Bikramjit Sharma, 2020, The journal of physical chemistry. B.

Nature of hydration shells of a polyoxy‐anion with a large cationic centre: The case of iodate ion in water

Amalendu Chandra, Bikramjit Sharma, A. Chandra, 2018, J. Comput. Chem..

Ab Initio Molecular Dynamics Simulation of the Phosphate Ion in Water: Insights into Solvation Shell Structure, Dynamics, and Kosmotropic Activity.

A. Chandra, Bikramjit Sharma, 2017, The journal of physical chemistry. B.

Born-Oppenheimer Molecular Dynamics Simulations of a Bromate Ion in Water Reveal Its Dual Kosmotropic and Chaotropic Behavior.

A. Chandra, Bikramjit Sharma, 2018, The journal of physical chemistry. B.

A Joint Venture of Ab Initio Molecular Dynamics, Coupled Cluster Electronic Structure Methods, and Liquid-State Theory to Compute Accurate Isotropic Hyperfine Constants of Nitroxide Probes in Water

F. Neese, D. Marx, E. Bordignon, 2021, Journal of chemical theory and computation.

A case study of density functional theory and domain-based local pair natural orbital coupled cluster for vibrational effects on EPR hyperfine coupling constants: vibrational perturbation theory versus ab initio molecular dynamics

F. Neese, D. Marx, A. Auer, 2020, Molecular Physics.

Structural Sampling and Solvation Models for the Simulation of Electronic Spectra: Pyrazine as a Case Study.

D. Marx, C. Hättig, S. Tsuru, 2023, Journal of chemical theory and computation.

The accuracy limit of chemical shift predictions for species in aqueous solution.

H. Kalbitzer, S. Kast, Bikramjit Sharma, 2024, Physical chemistry chemical physics : PCCP.

Caspase-3 mediated programmed cell death by a gold-stabilised peptide carbene.

B. Ateeq, Bikramjit Sharma, Shivansh Nigam, 2019, Bioorganic & medicinal chemistry letters.

On the issue of closed versus open forms of gamma-aminobutyric acid (GABA) in water: Ab initio molecular dynamics and metadynamics studies.

A. Chandra, Bikramjit Sharma, 2018, The Journal of chemical physics.