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Physical Chemistry Chemical Physics : PCCP|November 20, 2024
Engineering highly efficient porphyrin sensitizers through metal, ligand and bridge modification: a DFT studyHemjot Kaur, Neetu GoelChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|January 11, 2022
Cooperative Effect of Noncovalent Interactions on Tetrel Bonding in Halogenated SilanesMayank Khera, Neetu GoelJournal of Molecular Graphics & Modelling|August 14, 2022
Photodegradation of dye using Polythiophene/ZnO nanocomposite: A computational approachShivangi Garg, Neetu GoelChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|June 4, 2019
Single-Atom Catalysis Using Chromium Embedded in Divacant Graphene for Conversion of Dinitrogen to AmmoniaMohd Riyaz, Neetu GoelJournal of Molecular Graphics & Modelling|December 3, 2019
Qualitative as well as quantitative analysis of interactions present in chlorine and bromine substituted aromatic organic crystals: A DFT linked Crystal Explorer studyMayank Khera, Neetu GoelJournal of Molecular Modeling|May 16, 2014
Menshutkin reaction between DABCO and benzyfluoride/fluorodiphenylmethane: a mechanistic studyAmritpal Singh, Neetu GoelNanoscale|October 29, 2010
Transition metal induced magnetism in smaller fullerenes (Cn for n≤36)Isha Garg, Hitesh Sharma, Neha Kapila, et al.The 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 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 GoelPageof 5