Substituent Effects on OH Bond Strength and Hyperfine Properties of Phenol, as Model for Modified Tyrosyl Radicals in Proteins

International Journal of Quantum Chemistry

Volumn 76, Issue 6, 2000, Pages 714-723

  Himo, Fahmi ^a   Eriksson, Leif A ^b   Blomberg, Margareta R A ^a   Siegbahn, Per E M ^a  

^a STOCKHOLM UNIVERSITY   (Sweden)

^b UPPSALA UNIVERSITY   (Sweden)

Author keywords

Bond dissociation energy; Density functional theory; Phenol; Radical; Substituent effects

Indexed keywords

EID: 0000323948     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(2000)76:6<714::AID-QUA4>3.0.CO;2-F     Document Type: Article

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