Quantum chemical study of three polymorphs of the mononuclear spin-transition complex [Fe(DPPA)(NCS)2]

Journal of Physical Chemistry A

Volumn 109, Issue 38, 2005, Pages 8568-8571

  Zein, Samir ^a   Matouzenko, Galina S ^a   Borshch, Serguei A ^a  

^a UNIVERSITÉ DE LYON   (France)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEXATION; CRYSTAL LATTICES; ELECTRON TRANSITIONS; ENERGY GAP; IRON COMPOUNDS; MAGNETIC PROPERTIES; QUANTUM THEORY; SYNTHESIS (CHEMICAL);

MADELUNG FIELD; MONONUCLEAR SPIN-TRANSITIONS; POLYMORPHS; QUANTUM CHEMICAL STUDY;

PHYSICAL CHEMISTRY;

DIPALMITOYL PHOSPHATIDIC ACID; FERROUS ION; PALMITIC ACID DERIVATIVE; PHOSPHATIDIC ACID;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; QUANTUM THEORY;

COMPUTER SIMULATION; FERROUS COMPOUNDS; MODELS, CHEMICAL; MOLECULAR STRUCTURE; PALMITATES; PHOSPHATIDIC ACIDS; QUANTUM THEORY;

EID: 26844551323     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp051958p     Document Type: Article

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