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The Journal of Physical Chemistry. A|January 17, 2024
DFT Study on the Spin States of Polyaniline-3d Transition-Metal (Sc-Zn) Composites and Their Sensing Application to Detect Chemical Warfare AgentsShivangi Garg, Rajan Singla, Neetu Goel
Molecules (Basel, Switzerland)|November 13, 2021
Kinetics and Thermodynamics of CO Oxidation by (TiO<sub>2</sub>)<sub>6</sub>Navjot Kaur, Neetu Goel, Michael Springborg, et al.
The Journal of Physical Chemistry. A|December 10, 2016
Spin Inversion Phenomenon and Two-State Reactivity Mechanism for Direct Benzene Hydroxylation by V<sub>4</sub>O<sub>10</sub> ClusterNavjot Kaur, Indu Kumari, Shuchi Gupta, et al.
Journal of Molecular Modeling|January 6, 2019
A QM/MM study on ethene and benzene oxidation using silica-supported chromium trioxideIndu Kumari, Navjot Kaur, Shuchi Gupta, et al.
Journal of Molecular Graphics & Modelling|December 17, 2018
Nucleotide conjugated (ZnO)<sub>3</sub> cluster: Interaction and optical characteristics using TDDFTIndu Kumari, Navjot Kaur, Shuchi Gupta, et al.
Physical Chemistry Chemical Physics : PCCP|February 11, 2016
Theoretical study of adsorption of amino acids on graphene and BN sheet in gas and aqueous phase with empirical DFT dispersion correctionPreeti Singla, Mohd Riyaz, Sonal Singhal, et al.
Amino Acids|November 13, 2019
Mechanistic details of amino acid catalyzed two-component Mannich reaction: experimental study backed by density functional calculationsDixita Rani, Lalita Thakur, Mayank Khera, et al.
Environmental Science and Pollution Research International|November 18, 2017
Removal of fluoroquinolone from aqueous solution using graphene oxide: experimental and computational elucidationSarita Yadav, Neetu Goel, Vinod Kumar, et al.
Environmental Science and Pollution Research International|February 21, 2018
Correction to: Removal of fluoroquinolone from aqueous solution using graphene oxide: experimental and computational elucidationSarita Yadav, Neetu Goel, Vinod Kumar, et al.
Langmuir : the ACS Journal of Surfaces and Colloids|May 22, 2025
Ultrasonically Driven Structural Evolution of Bimetallic Heterostructures for Construction of an ElectroTrace AnalyzerRandeep Kaur, Sonam, Geetika Bhardwaj, et al.
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