DFT study of structure and vibrations in low-lying spin states of five-coordinated deoxyheme model

Journal of Physical Chemistry B

Volumn 104, Issue 45, 2000, Pages 10659-10666

  Kozlowski, Pawel M ^a   Spiro, Thomas G ^b   Zgierski, Marek Z ^c  

^a UNIVERSITY OF LOUISVILLE   (United States)

^b PRINCETON UNIVERSITY   (United States)

^c NATIONAL RESEARCH COUNCIL CANADA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ISOTOPES; LATTICE VIBRATIONS; MATHEMATICAL MODELS; PROBABILITY DENSITY FUNCTION; RAMAN SCATTERING;

DEOXYHEME MODEL; LOW-LYING SPIN STATES;

MOLECULAR STRUCTURE;

EID: 0034319316     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp001463u     Document Type: Article

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