57Fe Mössbauer quadrupole splittings and isomer shifts in spin-crossover complexes: A density functional theory investigation

Journal of Physical Chemistry A

Volumn 107, Issue 20, 2003, Pages 4147-4150

  Zhang, Yong ^a   Oldfield, Eric ^a  

^a UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ISOMER SHIFTS; MOSSBAUER QUADRUPOLE SPLITTING; SPIN CROSSOVER COMPLEXES; WAVE FUNCTIONS;

ELECTRIC FIELD EFFECTS; ELECTRON ENERGY LEVELS; IRON; ISOMERS; MOLECULAR STRUCTURE; MOSSBAUER SPECTROSCOPY; NUMERICAL ANALYSIS; PROBABILITY DENSITY FUNCTION;

MOLECULAR DYNAMICS;

EID: 0037945676     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp030222u     Document Type: Article

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