Srimanta Pakhira
0000-0002-2488-300X
University of California
51 papers found
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Association reaction between SiH3 and H2O2: A computational study of the reaction mechanism and kinetics
Binding affinity of substituted ureido-benzenesulfonamide ligands to the carbonic anhydrase receptor: A theoretical study of enzyme inhibition
A Computational Study of Detoxification of Lewisite Warfare Agents by British Anti-lewisite: Catalytic Effects of Water and Ammonia on Reaction Mechanism and Kinetics
Performance of dispersion-corrected double hybrid density functional theory: A computational study of OCS-hydrocarbon van der Waals complexes
Can two T-shaped isomers of OCS–C2H2 van der Waals complex exist?
Dispersion corrected double high-hybrid and gradient-corrected density functional theory study of light cation–dihydrogen (M+–H2, where M = Li, Na, B and Al) van der Waals complexes
Spectroscopic properties, potential energy surfaces and interaction energies of RgClF (Rg = Kr and Xe) van der Waals complexes
Theoretical study of spectroscopy, interaction, and dissociation of linear and T-shaped isomers of RgClF (Rg = He, Ne, and Ar) van der Waals complexes
Spectroscopy and dissociation of I2–Rg (Rg = Kr and Xe) van der Waals complexes
Coupled cluster study of structural properties of RgI and RgI− (Rg = He, Ne, Ar) weakly bound molecules
Spectroscopic properties of I2–Rg (Rg=He, Ne, Ar) van der Waals complexes
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