Quantum chemical approach to the assignment of iron-catecholate vibrations and isotopic substitution shifts

Journal of the American Chemical Society

Volumn 118, Issue 13, 1996, Pages 3283-3284

  Ohrstrom, L ^a   Michaud Soret, I ^a  

^a CHALMERS UNIVERSITY OF TECHNOLOGY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; ELECTRONIC STRUCTURE; ORGANOMETALLICS; RAMAN SPECTROSCOPY;

CHEMICAL SHIFTS; DENSITY FUNCTIONAL THEORY; IRON CATECHOLATE; ISOTOPIC SUBSTITUTION; QUANTUM CHEMISTRY; VIBRATIONAL FREQUENCIES;

IRON COMPOUNDS;

CATECHOL DERIVATIVE; TYROSINE 3 MONOOXYGENASE;

ARTICLE; DRUG STRUCTURE; ENZYME BINDING; QUANTUM CHEMISTRY; RAMAN SPECTROMETRY;

EID: 0030567337     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja953409a     Document Type: Article

References (27)