, 2020 The INDO method and Kirkwood-Westheimer approximation were used to calculate solvent reorganization energies in one-electron transfer processes taking place in nitroarene/nitroarene radical-anion systems.
IOFFE N.T. +3 more
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Investigation of Vibrational Signatures Of Nitrobenzenes Enhanced By Argyrophilic Interactions [PDF]
, 2018 This investigation studies the interactions between various nitroaromatic high energy density materials (HEDMs) and a pair of silver atoms (Ag2). Additionally, we examine the changes in frequency, infrared (IR) intensities, and Raman activities induced ...
Reed, Hailey
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, 2016 International audienceNickel nanoparticle-decorated phosphorous-doped graphitic carbon nitride (Ni@g-PC 3 N 4) was synthesized and used as an efficient photoactive catalyst for the reduction of various nitrobenzenes under visible light irradiation ...
Manchanda, Manvi +11 more
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A Computational Study of Toxicity of Nitrobenzenes Using QSPR and DFT-Based Molecular Surface Electrostatic Potential [PDF]
, 2010 In the present study, the density functional B3LYP/6-311G** level of theory was used to compute and map the molecular surface electrostatic potentials of a group of substituted nitrobenzenes to identify common features related to their subsequent ...
Abu-Awwad, Fakhr M.
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QSAR study of the toxicity of nitrobenzenes to Tetrahymena pyriformis using quantum chemical descriptors [PDF]
, 2012 Quantitative Structure–Activity Relationship (QSAR) models are useful in understanding how chemical structure relates to the biological activity and the toxicity of natural and synthetic chemicals.
Mekelleche, Sidi Mohamed +1 more
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Reductions of substituted nitrobenzenes by reducing sugars and sodium arsenite in alkaline medium [PDF]
, 1965 "One of the objects of the present work was to study the reduction of a series of mono-substituted nitrobenzenes using the reducing sugars dextrose and lactose and sodium arsenite in alkaline medium.
Tong, Daniel Y.
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Visible light-photoinduced and Cu-catalyzed reduction of nitrobenzenes into anilines
: A visible light-photoinduced and Cu-catalyzed reduction of nitrobenzenes using iPrOH as a green and renewable hydrogen source in aqueous HCl/iPrOH at room temperature has been developed.
Bal, Mathias +6 more
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Reductions of substituted nitrobenzenes with complex metal hydrides [PDF]
, 1970 "One of the aims of the present work was to study the reduction of a number of mono- and disubstituted nitrobenzenes with lithium aluminum hydride and also sodium borohydride.
Islam, Muhammed Nurul.
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Radical anions and nitroxides from alkylthio-, alkylsulphinyl-, and alkylsulphonyl-nitrobenzenes
, 1977 The e.s.r. spectra of the radical anions and nitroxides from nitrobenzenes substituted with SR, SOR, and SO2R groups are reported. The effect of the substituent on the spin density distribution as revealed by the variations of the nitrogen and ring ...
Alberti A, Pedulli GF, Martelli G
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Photoreduction of 4-substituted nitrobenzenes by amines
, 2004 The reduction of several nitrobenzenes bearing electron-donor and electron-withdrawing substituents in the 4-position by triethylamine in acetonitrile was studied by cyclic voltammetry, EPR spectroscopy, and steady-state photolysis.
Rufs, A. M. +3 more
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