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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.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|December 3, 2014
Coordination mode of pentadentate ligand derivative of 5-amino-1,3,4-thiadiazole-2-thiol with nickel(II) and copper(II) metal ions: synthesis, spectroscopic characterization, molecular modeling and fungicidal studySulekh Chandra, Seema Gautam, Amit 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.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|September 29, 2014
Syntheses, spectroscopic characterization, thermal study, molecular modeling, and biological evaluation of novel Schiff's base benzil bis(5-amino-1,3,4-thiadiazole-2-thiol) with Ni(II), and Cu(II) metal complexesSulekh Chandra, Seema Gautam, Hament Kumar Rajor, et al.
Inorganic Chemistry|September 9, 2020
Mononuclear Pseudostannatranes Possessing Unsymmetrical [4.4.3.0<sup>1,5</sup>]Tridecane Cage: Experimental and Theoretical Aspects of Reverse Kocheshkov Reaction in Phenyl PseudostannatraneKeshav Kumar, Neha Srivastav, Mayank Khera, et al.
Molecules (Basel, Switzerland)|April 13, 2023
Properties of Naked Silver Clusters with Up to 100 Atoms as Found with Embedded-Atom and Density-Functional CalculationsShivangi Garg, Navjot Kaur, Neetu Goel, et al.
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