Estimation of the vibrational contribution to the entropy change associated with the low- to high-spin transition in Fe(phen)2(NCS)2 complexes: Results obtained by IR and Raman spectroscopy and DFT calculations

Journal of Physical Chemistry A

Volumn 106, Issue 50, 2002, Pages 12024-12034

  Brehm, G ^a   Reiher, Markus ^a   Schneider, S ^a  

^a UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

INTRAMOLECULAR INTERACTIONS;

APPROXIMATION THEORY; CRYSTALLOGRAPHY; ELECTRON TRANSITIONS; ENTROPY; INFRARED SPECTROSCOPY; IRON COMPOUNDS; MOSSBAUER SPECTROSCOPY; RAMAN SPECTROSCOPY; X RAY ANALYSIS;

MOLECULAR DYNAMICS;

EID: 0037137638     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp026586o     Document Type: Article

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