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 More ArticlesJournal Papers 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 Directionality of Halogen Bonds: An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Study # Journal
