A comparison of the performance of the semiempirical PM6 method versus DFT methods in Ru-catalyzed olefin metathesis

NATO Science for Peace and Security Series A: Chemistry and Biology

Volumn , Issue , 2010, Pages 281-292

  Correa, Andrea ^a   Poater, Albert ^b   Ragone, Francesco ^b   Cavallo, Luigi ^a  

^a UNIVERSITY OF SALERNO   (Italy)

^b NONE

Author keywords

Ab initio molecular dynamics; Density functional; Homogenous catalysis; Metathesis; Semiemipirical methods; Theory calculations

Indexed keywords

EID: 84866983115     PISSN: 18746489     EISSN: None     Source Type: Book Series    
DOI: 10.1007/978-90-481-3433-5_17     Document Type: Article

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