Theoretical study of cisplatin binding to purine bases: Why does cisplatin prefer guanine over adenine?

Kinetics and thermodynamics of H center dot transfer from (eta(5)-C5R5)Cr(CO)(3)H (R = Ph, Me, H) to methyl methacrylate and styrene

Mechanistic studies on the hydroxylation of methane by methane monooxygenase

Peripheral heme substituents control the hydrogen-atom abstraction chemistry in cytochromes P450

How iron-containing proteins control dioxygen chemistry: a detailed atomic level description via accurate quantum chemical and mixed quantum mechanics/molecular mechanics calculations

Hydroxylation of methane by non-heme diiron enzymes: Molecular orbital analysis of C-H bond activation by reactive intermediate Q

Ab initio quantum calculation of the diabatic coupling matrix elements for the self-exchange redox couples M(Cp)(2)(0/+) (M = Fe, Co; Cp Cp = C5H5)

A non-classical hydrogen bond in the molybdenum arene complex [eta(6)-C6H5C6H3(Ph)OH]Mo(PMe3)(3): evidence that hydrogen bonding facilitates oxidative addition of the O-H bond

Density functional theory study of redox pairs: 2. Influence of solvation and ion-pair formation on the redox Behavior of cyclooctatetraene and nitrobenzene

Computing redox potentials in solution: Density functional theory as a tool for rational design of redox agents