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Publications

Journal Papers
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Bonding in the high spin lithium clusters: Non‐nuclear attractors play a crucial role February 2023
A naphthalenecarboxamide based fluorescent sensor for selective detection of Fe3+ and CN‾: Live cell imaging and INHIBIT logic gate operation March 2023
An anthracene–quinoline based dual-mode fluorometric–colorimetric sensor for the detection of Fe 3+ and its application in live cell imaging July 2021
Tetrel Bonds; a Theoretical Study Based on the Laplacian of Electron Density and Interacting Quantum Atoms Analysis May 2021
Boron Triel Bonds: A Quantum Chemical Topology Perspective September 2021
Fluorine as a Lewis acid: A symmetry‐adapted perturbation theory based on density functional theory and interacting quantum atoms study of noncovalent interactions in the NCF⋯NH3 complex April 2020
Fluorine as a Lewis acid: A symmetry‐adapted perturbation theory based on density functional theory and interacting quantum atoms study of noncovalent interactions in the NCF June 2020
Complementary Features of Inorganic (M–X) and Organic (C–X′) Halogens in C–X′···X–M Halogen Bonds: A Study Based on Structure, Energy, and Topological Electron Density March 2020
Fluorine as a Lewis acid: A symmetry‐adapted perturbation theory based on density functional theory and interacting quantum atoms study of noncovalent interactions in the NCF … June 2020
Chemical stability of sulfonated poly(benzimidazole)s in proton exchange membrane fuel cells: A comprehensive Ab initio mechanistical study March 2020
Fluorine as a Lewis acid: A symmetry‐adapted perturbation theory based on density functional theory and interacting quantum atoms study of noncovalent interactions in the NCF January 2020
Complementary Features of Inorganic (MX) and Organic (CX') Halogens in CX'center dot center dot center dot XM Halogen Bonds: A Study Based on Structure, Energy, and Topological January 2020
Chemical stability of sulfonated poly (benzimidazole) s in proton exchange membrane fuel cells: A comprehensive Ab initio mechanistical study January 2020
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy January 2019
New Journal of Chemistry August 2019
CrystEngComm March 2019
Cover Image: ChemPhysChem July 2019
Directionality of Halogen Bonds: An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Study July 2019
Arrangement and nature of intermolecular hydrogen bonding in complex biomolecular systems: modeling the vitamin C---L-alanine interaction January 2018
Metal–ligand bond directionality in the M2–NH3 complexes (M= Cu, Ag and Au) January 2018
Experimental and theoretical structural determination, spectroscopy and electrochemistry of cobalt (III) Schiff base complexes: February 2018
van der Waals DFT ONIOM study of the adsorption of DNA bases on the Cu (111) nanosurface October 2017
Endohedral pnicogen and triel bonds in doped C 60 fullerenes December 2017
Strain or electronic effects? MP2 and DFT aromaticity investigation in small ring annulated benzene June 2017
Sulfonated or phosphonated membranes? DFT investigation of proton exchange in poly (oxadiazole) membranes January 2016
Theoretical investigation of proton-transfer in different membranes for PEMFC applications in low humidity conditions March 2016
Nature of Beryllium Bonds in View of Interacting Quantum Atoms and Natural Energy Decomposition Analysis May 2016
Nature of Intramolecular Interactions of Vitamin C in view of Interacting Quantum Atoms; The Role of Hydrogen Bond Cooperativity on Geometry July 2016
Theoretical investigation of proton-transfer in different membranes for PEMFC applications in low humidity conditions March 2016
Does Fluorine Participate in the Halogen Bonding? January 2015
Comparison of halogen bonds in M−X⋯N contacts (M=C, Si, Ge and X=Cl, Br) May 2015
Hydrogen–Hydrogen Interaction in Planar Biphenyl: A Theoretical Study Based on the Interacting Quantum Atoms and Hirshfeld Atomic Energy Partitioning Methods July 2014
Synthesis, characterization, crystal structure determination and computational study of the two new bidentate O, N Schiff bases derived from bromosalicylaldehyde and amines containing alkyl halide pendant groups September 2013
Pnicogen Bonds—: A Theoretical Study Based on the Laplacian of Electron Density November 2013
Nature of closed‐and open‐shell interactions between noble metals and rare gas atoms February 2013
Halogen bonding: a theoretical study based on atomic multipoles derived from quantum theory of atoms in molecules December 2012
Characteristics of beryllium bonds; a QTAIM study August 2012
Halogen bonding: A lump–hole interaction May 2010
Oxidative addition of n-alkyl halides to diimine–dialkylplatinum (II) complexes: a closer look at the kinetic behaviors January 2008
Approximate transferability in conjugated polyalkenes January 2007
Interpretation of anomeric effect in the NCN unit with the quantum theory of atoms in molecules August 2007
Closed shell oxygen–oxygen bonding interaction based on electron density analysis July 2007
The chemical nature of very strong hydrogen bonds in some categories of compounds January 2006

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