Reduction Potential Predictions for Some 3-Aryl-Quinoxaline-2-Carbonitrile 1,4-Di-N-Oxide Derivatives with Known Anti-Tumor Properties

Reduction Potential Predictions for Some 3-Aryl-Quinoxaline-2-Carbonitrile 1,4-Di-N-Oxide Derivatives with Known Anti-Tumor Properties

The ability for DFT: B3LYP calculations using the 6-31g and lanl2dz basis sets to predict the electrochemical properties of twenty (20) 3-aryl-quinoxaline-2-carbonitrile 1,4-di-N-oxide derivatives with varying degrees of cytotoxic activity in dimethylformamide (DMF) was investigated. There was a str...

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Bibliographic Details
Main Authors: Eric M. Miller, Cody J. Brazel, Krystina A. Brillos-Monia, Philip W. Crawford, Hannah C. Hufford, Michael R. Loncaric, Monica N. Mruzik, Austin W. Nenninger, Christina M. Ragain
Format: Article
Language:English
Published: MDPI AG 2019-01-01
Series:Computation
Subjects:
quinoxaline-di-N-oxide derivatives
voltammetry
anti-tumor
reduction potential
experimental
computational
ab initio
density functional theory
Online Access:http://www.mdpi.com/2079-3197/7/1/6

Internet

http://www.mdpi.com/2079-3197/7/1/6

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