Two-electron reduction of nitroaromatic compounds by flavin mononucleotide. DFT computational study

Two-electron reduction of nitroaromatic compounds by flavin mononucleotide. DFT computational study

<p><span lang="EN-US"><span style="font-family: Cambria; font-size: small;">The mechanism for reduction of nitroaromatic compounds by flavin mononucleotide (FMN) was examined at MPWB1K/tzvp level. The solvent effects were calculated using a PCM(Pauling) and SMD(...

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Bibliographic Details
Main Authors: Liudmyla K. Sviatenko, Leonid Gorb, Sergiy I. Okovytyy, Jerzy Leszczynski
Format: Article
Language:English
Published: Oles Honchar Dnipropetrovsk National University 2016-08-01
Series:Vìsnik Dnìpropetrovsʹkogo Unìversitetu: Serìâ Hìmìâ
Subjects:
nitroaromatics
reduction
flavin mononucleotide
DFT
Online Access:http://chemistry.dnu.dp.ua/article/view/67266

Internet

http://chemistry.dnu.dp.ua/article/view/67266

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