La Rocca, Mario Vincenzo

Benchmarking the DFT methodology for assessing antioxidant-related properties: quercetin and edaravone as case studies. [electronic resource] - Journal of molecular modeling Oct 2016 - 250 p. digital

Publication Type: Journal Article

0948-5023

10.1007/s00894-016-3118-6 doi


Antioxidants--chemistry
Benchmarking--methods
Free Radical Scavengers--chemistry
Phenols--chemistry
Quercetin--chemistry
Solvents--chemistry