A comparative quantum chemical study of the ruthenium catalyzed olefin metathesis

Journal of Computational Chemistry

Volumn 28, Issue 14, 2007, Pages 2275-2285

  Piacenza, M ^a   Hyla Kryspin, I ^b   Grimme, S ^b  

^a INFM   (Italy)

^b UNIVERSITY OF MÜNSTER   (Germany)

Author keywords

AO basis set effects; Density functional theory; Homogeneous catalysis; Olefin metathesis; Perturbation theory

Indexed keywords

CATALYST ACTIVITY; DENSITY FUNCTIONAL THEORY; HOMOGENIZATION METHOD; OLEFINS; PERTURBATION TECHNIQUES; RUTHENIUM COMPOUNDS; TRANSITION METAL COMPOUNDS;

HOMOGENEOUS CATALYSIS; OLEFIN METATHESIS; TRANSITION-METAL COMPLEXES;

QUANTUM CHEMISTRY;

EID: 34548569064     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20709     Document Type: Article

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