Dr. K. Eskandari

Dr. K. Eskandari

k.eskandari@iut.ac.ir

Office

Department of Chemistry, Isfahan University of Technology, Isfahan

Phone

+98 31 33913255

Fax

+98 31 33912350

Research Interests

Quantum Chemistry

Quantum Theory of Atoms in Molecules (QTAIM)

Theortical and Computational Chemistry

type: Journal
Title	Date
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	2024-04
MP2, DFT, and IQA study of substituent effect on the structure, stability, and bonding properties of CX2 singlet and triplet carbenes and related carbenoids	2023-05
A naphthalenecarboxamide based fluorescent sensor for selective detection of Fe3+ and CN?: Live cell imaging and INHIBIT logic gate operation	2023-03
Bonding in the high spin lithium clusters: Non-nuclear attractors play a crucial role	2023-01
Boron Triel Bonds: A Quantum Chemical Topology Perspective	2021-11
An anthracene-quinoline based dual-mode fluorometric-colorimetric sensor for the detection of Fe 3+ and its application in live cell imaging	2021-04
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	2020-03
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	2020-02
Chemical stability of sulfonated poly(benzimidazole)s in proton exchange membrane fuel cells A comprehensive Ab initio mechanistical study	2020-01
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	2019-08