مرور Volume 14, Issue 2 بر اساس تاریخ انتشار
در حال نمایش موارد 1 - 3 از 3
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Quantum Chemical Modeling of 2-(Cyclohexylamino)-2-oxo-1-(quinolin-4-yl)ethyl 4-Chlorobenzoate: Molecular Structure, Spectroscopic (FT-IR, NMR, UV) Investigations, FMO, MEP and NBO Analysis Based on HF and DFT Calculations
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2018-02-01)In the present work, the quantum theoretical calculations of the molecular structure of the compound 2-(Cyclohexylamino)-2-oxo-1-(quinolin-4-yl)ethyl 4-Chlorobenzoate have been predicted using Density Functional Theory ...
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Design and Evaluation of a Mercury (II) Optode Based on Immobilization of 5, 6 Di methyl -1- (4 methyl benzyl) -2- para tolyl-1H-benzimidazole (DMBPTBI) on a Triacetylcellulose Membrane and Determination in Various Samples
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2018-02-01)The characterization of an optical sensor membrane is described for the determination of Hg2+ ions based on the immobilization of 5, 6 Di methyl -1- ( 4 methyl benzyl) -2- para tolyl-1H-benzimidazole (DMBPTBI) on a ...
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A theoretical study on halogen-π interactions: X-C2-Y…C8H8 complexes
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2018-02-01)M06-2X functional was employed to study halogen-π interactions in X-C2-Y…C8H8 complexes (X, Y=H, F, Cl, and Br). In fact, interactions of mono- or di-halogenated acetylenes and planar cyclooctatetraene as an anti-aromatic ...
