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Journal of Molecular Modeling|April 27, 2022
DFT exploration to tune the silyl group as anchoring unit on the performance of dye-sensitized solar cells: an approach to suppress dye leaching from semiconductor surfaceAnusuya Saha, Bishwajit GangulyMolecular Biosystems|June 26, 2014
Can hydroxylamine be a more potent nucleophile for the reactivation of tabun-inhibited AChE than prototype oxime drugs? An answer derived from quantum chemical and steered molecular dynamics studiesRabindranath Lo, Bishwajit GangulyJournal of Molecular Graphics & Modelling|September 9, 2019
Role of backbones on the interaction of metal ions with deoxyribonucleic acid and peptide nucleic acid: A DFT studySurjit Bhai, Bishwajit GangulyJournal of Computational Chemistry|June 22, 2010
What is the minimum number of water molecules required to dissolve a potassium chloride molecule?Anik Sen, Bishwajit GangulyPhysical Chemistry Chemical Physics : PCCP|December 20, 2021
Exploiting the optical sensing of fluorophore-tagged DNA nucleobases on hexagonal BN and Al-doped BN sheets: a computational studySurjit Bhai, Bishwajit GangulyRSC Advances|May 6, 2022
Role of the backbone of nucleic acids in the stability of Hg<sup>2+</sup>-mediated canonical base pairs and thymine-thymine mispair: a DFT studySurjit Bhai, Bishwajit GangulyJournal of Molecular Graphics & Modelling|December 8, 2023
Exploiting the role of coadsorbents on photovoltaic performances of dye sensitized solar cells: A DFT studyAnusuya Saha, Bishwajit GangulyChemistry (Weinheim an Der Bergstrasse, Germany)|February 9, 2023
Computational Evidence of the Incipient Oxocarbenium Ion as a "Hidden Intermediate" During the Cyclization of Hydroxyenol Ether into Spiroketal Under Mild Acidic ConditionSana Jindani, Bishwajit GangulyJournal of Molecular Graphics & Modelling|December 19, 2014
Revealing halogen bonding interactions with anomeric systems: an ab initio quantum chemical studiesRabindranath Lo, Bishwajit GangulyACS Omega|December 16, 2020
Computational Study on Metal-Ion-Decorated Prismane Molecules for Selective Adsorption of CO<sub>2</sub> from Flue Gas MixturesPadmaja D Wakchaure, Bishwajit GangulyPageof 13