Spin crossover transition of Fe(phen)2(NCS)2: Periodic dispersion-corrected density-functional study

Physical Chemistry Chemical Physics

Volumn 14, Issue 16, 2012, Pages 5389-5396

  Bučko, Tomáš ^a,b   Hafner, Jürgen ^c   Lebègue, Sébastien ^d   Ángyán, János G ^d  

^a Faculty of Natural Sciences   (Slovakia)

^b INSTITUTE OF CHEMISTRY   (Slovakia)

^c UNIVERSITY OF VIENNA   (Austria)

^d Boulevard des Aiguillettes   (France)

Author keywords

[No Author keywords available]

Indexed keywords

1,10 PHENANTHROLINE; 1,10-PHENANTHROLINE; FERROUS ION; PHENANTHROLINE DERIVATIVE; THIOCYANATE; THIOCYANIC ACID DERIVATIVE;

ARTICLE; CHEMISTRY; QUANTUM THEORY;

FERROUS COMPOUNDS; PHENANTHROLINES; QUANTUM THEORY; THIOCYANATES;

EID: 84859330014     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/c2cp40111h     Document Type: Article

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