An in silico design tool for Fe(II) spin crossover and light-induced excited spin state-trapped complexes

Journal of the American Chemical Society

Volumn 132, Issue 20, 2010, Pages 6876-6877

  Deeth, Robert J ^a   Anastasi, Anna E ^a   Wilcockson, Martin J ^a  

^a UNIVERSITY OF WARWICK   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL TOOLS; COORDINATION COMPLEX; ELECTRON EFFECT; IN-SILICO; LIGAND-FIELD; ORDERS OF MAGNITUDE; SPIN CROSSOVERS; SPIN STATE;

COORDINATION REACTIONS; DENSITY FUNCTIONAL THEORY;

SPIN DYNAMICS;

FERROUS ION;

ACCELERATION; ARTICLE; COMPUTER AIDED DESIGN; COMPUTER MODEL; CONFORMATION; DENSITY FUNCTIONAL THEORY; LIGHT; MOLECULAR MECHANICS; QUANTUM MECHANICS; SOLID STATE; SPIN TRAPPING; STRUCTURE ANALYSIS;

EID: 77952570264     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja1007323     Document Type: Article

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