Journal
CHEMICAL COMMUNICATIONS
Volume -, Issue 30, Pages 3160-3162Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/b704871h
Keywords
-
Categories
Ask authors/readers for more resources
By performing CASPT2 calculations, the lowest energy pathway for oxygen addition to an isolated heme center of a hemeprotein is evaluated and found to be reversible (the oxyheme compound is just 14.9 kcal mol(-1) more stable than the deoxyheme + O-2 reactants, and the energy barriers to dissociation are even smaller).
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available