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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
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10.1021/acs.jpca.4c00699 |
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MP2, DFT, and IQA study of substituent effect on the structure, stability, and bonding properties of CX2 singlet and triplet carbenes and related carbenoids
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10.1007/s11164-023-05031-5 |
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A naphthalenecarboxamide based fluorescent sensor for selective detection of Fe3+ and CN?: Live cell imaging and INHIBIT logic gate operation
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10.1016/j.jphotochem.2023.114661 |
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Bonding in the high spin lithium clusters: Non-nuclear attractors play a crucial role
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10.1002/jcc.27056 |
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Boron Triel Bonds: A Quantum Chemical Topology Perspective
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10.1002/slct.202103002 |
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An anthracene-quinoline based dual-mode fluorometric-colorimetric sensor for the detection of Fe 3+ and its application in live cell imaging
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10.1039/D1NJ00178G |
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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
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10.1002/jcc.26202 |
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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
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10.1021/acs.cgd.9b01385 |
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Chemical stability of sulfonated poly(benzimidazole)s in proton exchange membrane fuel cells A comprehensive Ab initio mechanistical study
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10.1016/j.mtcomm.2019.100749 |
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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
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10.1039/C9NJ03049B |
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Directionality of Halogen Bonds: An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Study
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Copper(I) complexes of functionalized sulfur-containing ligands: structural and theoretical insights into chalcogen bonding
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A new fluorene derived Schiff-base as a dual selective fluorescent probe for Cu2+ and CN-
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ONIOM DFT study of the adsorption of cytosine on the Au/Ag and Ag/Au bimetallic nanosurfaces The efect of sublayer
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Arrangement and nature of intermolecular hydrogen bonding in complex biomolecular systems modeling the vitamin C---L-alanine interaction
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Experimental and theoretical structural determination spectroscopy and electrochemistry of cobalt (III) Schiff base complexes immobilization of complexes onto Montmorillonite -K10 nanoclay
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Metal-ligand bond directionality in the M 2- NH 3 complexes (M Cu Ag and Au)
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10.1080/00268976.2018.1431408 |
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Endohedral pnicogen and triel bonds in doped C 60 fullerenes
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10.1039/C7NJ01477E |
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van der Waals DFT ONIOM study of the adsorption of DNA bases on the Cu(111) nanosurface
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Strain or electronic effects MP2 and DFT aromaticity investigation in small ring annulated benzene
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