Insight into the kinetics and thermodynamics of the hydride transfer reactions between quinones and lumiflavin: a density functional theory study

The kinetics and equilibrium of the hydride transfer reaction between lumiflavin and a number of substituted quinones was studied using density functional theory. The impact of electron withdrawing/donating substituents on the redox potentials of quinones was studied. In addition, the role of these...

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Veröffentlicht in:	Journal of molecular modeling 2016-09, Vol.22 (9), p.199-15, Article 199
Hauptverfasser:	Reinhardt, Clorice R., Jaglinski, Tanner C., Kastenschmidt, Ashly M., Song, Eun H., Gross, Adam K., Krause, Alyssa J., Gollmar, Jonathan M., Meise, Kristin J., Stenerson, Zachary S., Weibel, Tyler J., Dison, Andrew, Finnegan, Mackenzie R., Griesi, Daniel S., Heltne, Michael D., Hughes, Tom G., Hunt, Connor D., Jansen, Kayla A., Xiong, Adam H., Hati, Sanchita, Bhattacharyya, Sudeep
Format:	Artikel
Sprache:	eng
Schlagworte:	Characterization and Evaluation of Materials Chemistry Chemistry and Materials Science Computer Appl. in Life Sciences Computer Applications in Chemistry Coordination compounds Density functional theory Electrons Hydrides Hydrogen bonds Kinetics Molecular Medicine Original Paper Quinones Theoretical and Computational Chemistry
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