TY - JOUR
T1 - Accurate redox potentials from theoretical calculations
T2 - Methyl-substituted benzoquinones
AU - Reynolds, C.A.
AU - King, P.M.
AU - Richards, W.G.
PY - 1988
Y1 - 1988
N2 - The redox potentials of 2-methylbenzoquinone and 2,5-dimethylbenzoquinone have been calculated theoretically to within about 25 mV of the experimental value using a combination of ab initio calculations and molecular dynamics simulations.
AB - The redox potentials of 2-methylbenzoquinone and 2,5-dimethylbenzoquinone have been calculated theoretically to within about 25 mV of the experimental value using a combination of ab initio calculations and molecular dynamics simulations.
UR - http://www.scopus.com/inward/record.url?eid=2-s2.0-37049074078&partnerID=MN8TOARS
U2 - 10.1039/C39880001434
DO - 10.1039/C39880001434
M3 - Article
SN - 1364-548X
SP - 1434
EP - 1436
JO - Journal of the Chemical Society, Chemical Communications
JF - Journal of the Chemical Society, Chemical Communications
IS - 21
ER -