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 |
Boron Triel Bonds: A Quantum Chemical Topology Perspective |
September |
2021 |
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 |
Chemical stability of sulfonated poly (benzimidazole) s in proton exchange membrane fuel cells: A comprehensive Ab initio mechanistical study |
January |
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⋯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 |
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 |
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 |
van der Waals DFT ONIOM study of the adsorption of DNA bases on the Cu (111) nanosurface |
October |
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 |