The spin dependence of the spatial size of Fe(II) and of the structure of Fe(II)-porphyrins

Journal of Physical Chemistry A

Volumn 108, Issue 21, 2004, Pages 4653-4657

  Ugalde, Jesus M ^a   Dunietz, Barry ^b   Dreuw, Andreas ^b   Head Gordon, Martin ^b   Boyd, Russell J ^c  

^a UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c DALHOUSIE UNIVERSITY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIBONDING ORBITALS; DENSITY FUNCTIONAL THEORY; ELECTRONIC CONFIGURATIONS; QUINTET STATES;

CARRIER CONCENTRATION; COORDINATION REACTIONS; CRYSTALLOGRAPHY; DISSOCIATION; GROUND STATE; IRON; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; NITROGEN; OPTIMIZATION; PROTEINS;

PORPHYRINS;

EID: 2942615082     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0489119     Document Type: Article

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