Shubham Vyas, Ph.D.

Affiliations: 
2011 Chemistry Ohio State University, Columbus, Columbus, OH 
Area:
reaction mechanisms
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"Shubham Vyas"
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Christopher M. Hadad grad student 2011 Ohio State
 (Computational And Experimental Studies Towards The Development Of Novel Therapeutics Against Organophosphorus Nerve Agents: Butyrylcholinesterase And Paraoxonase.)
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Publications

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Kwon H, Etz BD, Montgomery M, et al. (2020) Reactive Molecular Dynamics Simulations and Quantum Chemistry Calculations to Investigate Soot-Relevant Reaction Pathways for Hexylamine Isomers. The Journal of Physical Chemistry. A
Etz BD, DuClos JM, Vyas S. (2020) Investigating the Photochemistry of C7 and C8 Functionalized N(5)-Ethyl-Flavinium Cation: A Computational Study. The Journal of Physical Chemistry. A
Picayo GA, Etz BD, Vyas S, et al. (2020) Characterization of the ALSEP Process at Equilibrium: Speciation and Stoichiometry of the Extracted Complex. Acs Omega. 5: 8076-8089
Ta AT, Jensen MP, Vyas S. (2019) Dynamic and Solvation Behaviors of ALSEP Organic Ligands. The Journal of Physical Chemistry. B
Franjesevic AJ, Sillart SB, Beck JM, et al. (2018) Resurrection and Reactivation of Acetylcholinesterase and Butyrylcholinesterase. Chemistry (Weinheim An Der Bergstrasse, Germany)
Ta AT, Hegde GA, Etz BD, et al. (2018) Solvation Dynamics of HEHEHP Ligand at the Liquid-Liquid Interface. The Journal of Physical Chemistry. B
Bharadwaj VS, Vyas S, Villano SM, et al. (2018) Correction: Unravelling the impact of hydrocarbon structure on the fumarate addition mechanism - a gas-phase ab initio study. Physical Chemistry Chemical Physics : Pccp. 20: 9671
Motz AR, Herring AM, Vyas S, et al. (2017) Quantum Mechanical Study of the Reaction Mechanism for 2π-2π Cycloaddition of Fluorinated Methylene Groups. The Journal of Organic Chemistry
Bharadwaj VS, Vyas S, Villano SM, et al. (2015) Unravelling the impact of hydrocarbon structure on the fumarate addition mechanism--a gas-phase ab initio study. Physical Chemistry Chemical Physics : Pccp. 17: 4054-66
Slingsby JG, Vyas S, Maupin CM. (2015) A charge-modified general amber force field for phospholipids: Improved structural properties in the tensionless ensemble Molecular Simulation. 41: 1449-1458
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