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Organometallics

Volumn 28, Issue 22, 2009, Pages 6603-6616

Density functional study of butadiyne to butatrienylidene isomerization in [Ru(HC=CC=CH)(PMe3)2(Cp)]+

(3) Creati, Francesco a Coletti, Cecilia a Re, Nazzareno a

a UNIVERSITY OF CHIETI (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENTHALPIES; ACTIVATION FREE ENERGY; BUTADIYNE; BUTATRIENYLIDENE COMPLEXES; DENSITY-FUNCTIONAL CALCULATIONS; DENSITY-FUNCTIONAL STUDY; ETHYNYL; HYDROGEN SHIFTS; ISOMERIZATION PATHWAYS; METAL FRAGMENTS; PROTON MIGRATION; STABLE SPECIES;

ACETYLENE; COORDINATION REACTIONS; DENSITY FUNCTIONAL THEORY; ELECTRON TRANSITIONS; ENTHALPY; FREE ENERGY; ISOMERIZATION; ISOMERS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY;

ACTIVATION ENERGY;

EID: 72449157063 PISSN: 02767333 EISSN: None Source Type: Journal
DOI: 10.1021/om9007295 Document Type: Article

Times cited : (11)

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