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Journal of Molecular Modeling|May 16, 2014
Menshutkin reaction between DABCO and benzyfluoride/fluorodiphenylmethane: a mechanistic studyAmritpal Singh, Neetu GoelThe Journal of Physical Chemistry. A|August 9, 2023
Ligand and Substituent Effect on Regium-π Bonding in Cu and Ag π-Conjugated Complexes: A Density Functional StudyMayank Khera, Anchal, Neetu GoelThe Journal of Physical Chemistry. A|May 17, 2011
Structural evolution and stability of hydrogenated Li(n) (n = 1-30) clusters: a density functional studySeema Gautam, Keya Dharamvir, Neetu GoelThe Journal of Organic Chemistry|August 15, 2024
First-Principles Characterization of Noncovalent Interactions in the Enantioselective Oxetane Ring Opening via SPHENOL-Based Chiral Phosphoric Acid CatalystMayank Khera, Navjot Kaur, Neetu GoelJournal of Molecular Graphics & Modelling|November 12, 2017
Dispersion corrected density functional study of CO oxidation on pristine/functionalized/doped graphene surfaces in aqueous phaseMohd Riyaz, Sarita Yadav, Neetu GoelJournal of Molecular Graphics & Modelling|May 23, 2020
Conceptual DFT and TDDFT study on electronic structure and reactivity of pure and sulfur doped (CrO<sub>3</sub>)<sub>n</sub> (n = 1-10) clustersShivangi Garg, Navjot Kaur, Neetu GoelPhysical Chemistry Chemical Physics : PCCP|September 8, 2017
Enantioselective synthesis of sulfoxide using an SBA-15 supported vanadia catalyst: a computational elucidation using a QM/MM approachNavjot Kaur, Shuchi Gupta, Neetu GoelPhysical Chemistry Chemical Physics : PCCP|December 16, 2017
Correction: Enantioselective synthesis of sulfoxide using an SBA-15 supported vanadia catalyst: a computational elucidation using a QM/MM approachNavjot Kaur, Shuchi Gupta, Neetu GoelJournal of Molecular Modeling|October 11, 2019
Understanding structure-activity relation in V<sub>x</sub>O<sub>y</sub> clusters of varied stoichiometry and sizes through conceptual density functional approachNavjot Kaur, Shuchi Gupta, Neetu GoelChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|April 19, 2021
First Principle Studies to Tailor Graphene Through Synergistic Effect as a Highly Efficient Electrocatalyst for Oxygen Evolution ReactionMohd Riyaz, Shuchi Gupta, Neetu GoelPageof 4