k.eskandari@iut.ac.ir Google Scholar Office Department of Chemistry, Isfahan University of Technology, Isfahan Phone +98 31 33913255 Fax +98 31 33912350 Positions Department of Chemistry Research Interests Quantum Chemistry Quantum Theory of Atoms in Molecules (QTAIM) Theortical and Computational Chemistry type: Journal Title DOI type Theoretical Spectroscopic Study of Normal Raman and Charge Transfer Surface-Enhanced Raman Scattering (SERS) Spectra of the Adsorbed <scp>l</scp>- and <scp>d</scp>-Cysteine on the Chiral Au<sub>34</sub> and Ag<sub>4</sub>@Au<sub>30</sub> Nanoclusters 10.1021/acs.jpca.4c00699 Journal MP2, DFT, and IQA study of substituent effect on the structure, stability, and bonding properties of CX2 singlet and triplet carbenes and related carbenoids 10.1007/s11164-023-05031-5 Journal A naphthalenecarboxamide based fluorescent sensor for selective detection of Fe3+ and CN?: Live cell imaging and INHIBIT logic gate operation 10.1016/j.jphotochem.2023.114661 Journal Bonding in the high spin lithium clusters: Non-nuclear attractors play a crucial role 10.1002/jcc.27056 Journal Boron Triel Bonds: A Quantum Chemical Topology Perspective 10.1002/slct.202103002 Journal An anthracene-quinoline based dual-mode fluorometric-colorimetric sensor for the detection of Fe 3+ and its application in live cell imaging 10.1039/D1NJ00178G Journal 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 10.1002/jcc.26202 Journal 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 10.1021/acs.cgd.9b01385 Journal Chemical stability of sulfonated poly(benzimidazole)s in proton exchange membrane fuel cells A comprehensive Ab initio mechanistical study 10.1016/j.mtcomm.2019.100749 Journal A new disulfide Schiff base as a versatile OFF ON OFF fluorescent colorimetric chemosensor for sequential detection of CN and ions combined experimental and theoretical studies 10.1039/C9NJ03049B Journal
