Sit, Patrick H-L Quantum Mechanical and Quantum Mechanical/Molecular Mechanical Studies of the Iron-Dioxygen Intermediates and Proton Transfer in Superoxide Reductase. [electronic resource] - Journal of chemical theory and computation Sep 2010 - 2896-909 p. digital Publication Type: Journal Article ISSN: 1549-9618 Standard No.: 10.1021/ct900599q doi