Articles

Title DOI Year Month 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> Nanocluster… 10.1021/acs.jpca.4c00699 1403 01 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 1402 02 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 1401 12 Journal
Bonding in the high spin lithium clusters: Non-nuclear attractors play a crucial role 10.1002/jcc.27056 1401 10 Journal
Boron Triel Bonds: A Quantum Chemical Topology Perspective 10.1002/slct.202103002 1400 08 Journal
يوندهاي تترلي؛ مطالعه اي بر اساس لاپلاسي چگالي الكتروني و اتمهاي كوانتومي برهمكنش كننده NULL 1400 02 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 1400 01 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 1398 12 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 1398 11 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 1398 10 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 1398 05 Journal
Directionality of Halogen Bonds: An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Study NULL 1398 05 Journal
Copper(I) complexes of functionalized sulfur-containing ligands: structural and theoretical insights into chalcogen bonding NULL 1398 04 Journal
A new fluorene derived Schiff-base as a dual selective fluorescent probe for Cu2+ and CN- NULL 1397 05 Journal
ONIOM DFT study of the adsorption of cytosine on the Au/Ag and Ag/Au bimetallic nanosurfaces The efect of sublayer NULL 1397 03 Journal
Arrangement and nature of intermolecular hydrogen bonding in complex biomolecular systems modeling the vitamin C---L-alanine interaction NULL 1396 12 Journal
Experimental and theoretical structural determination spectroscopy and electrochemistry of cobalt (III) Schiff base complexes immobilization of complexes onto Montmorillonite -K10 nanoclay NULL 1396 12 Journal
Metal-ligand bond directionality in the M 2- NH 3 complexes (M Cu Ag and Au) 10.1080/00268976.2018.1431408 1396 11 Journal
Endohedral pnicogen and triel bonds in doped C 60 fullerenes 10.1039/C7NJ01477E 1396 06 Journal
van der Waals DFT ONIOM study of the adsorption of DNA bases on the Cu(111) nanosurface NULL 1396 03 Journal