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Volumn 6, Issue 8, 2015, Pages 1472-1476

Determination of spin inversion probability, H-tunneling correction, and regioselectivity in the two-state reactivity of nonheme iron(IV)-oxo complexes

Author keywords

density functional theory; kinetic isotope effect; spin inversion; tunneling; two state reactivity

Indexed keywords

ATOMS; DENSITY FUNCTIONAL THEORY; ELECTRON TUNNELING; OLEFINS;

EID: 84927939008     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/acs.jpclett.5b00527     Document Type: Article
Times cited : (62)

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