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List of works by Srimanta Pakhira

A computational study of detoxification of lewisite warfare agents by British anti-lewisite: catalytic effects of water and ammonia on reaction mechanism and kinetics.

scientific article published on 11 April 2013

A quantum Monte Carlo study of the reactions of CH with acrolein.

scientific article published on 27 April 2015

Achieving Fast and Efficient K Intercalation on Ultrathin Graphene Electrodes Modified by a Li Based Solid-Electrolyte Interphase

scientific article published on 15 October 2018

Binding affinity of substituted ureido-benzenesulfonamide ligands to the carbonic anhydrase receptor: a theoretical study of enzyme inhibition.

scientific article

Dirac cone in two dimensional bilayer graphene by intercalation with V, Nb, and Ta transition metals.

scientific article published in February 2018

Intercalation of first row transition metals inside covalent-organic frameworks (COFs): a strategy to fine tune the electronic properties of porous crystalline materials

scientific article published on 01 April 2019

Modulating Electrocatalysis on Graphene Heterostructures: Physically Impermeable Yet Electronically Transparent Electrodes.

scientific article published on 14 February 2018

Performance of dispersion-corrected double hybrid density functional theory: A computational study of OCS-hydrocarbon van der Waals complexes ⬇️

scientific article published on April 28, 2013

Quantum Monte Carlo Study of the Reactions of CH with Acrolein: Major and Minor Channels.

scientific article published on 5 April 2016

Reaction mechanism of the selective reduction of CO2 to CO by a tetraaza [CoIIN4H]2+ complex in the presence of protons

scientific article published on 01 September 2018

Structure, stability, and dissociation of small ionic silicon oxide clusters [SiO(n)+ (n = 3, 4)]: insight from density functional and topological exploration

scientific article published on 01 December 2013

Synthesis and Characterization of Tris-chelate Complexes for Understanding f-Orbital Bonding in Later Actinides

scientific article published on 04 February 2019

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