Ab Initio and DFT Study of Homolytic Substitution Reactions of Acyl Radicals at Silicon, Germanium, and Tin

Organometallics

Volumn 28, Issue 12, 2009, Pages 3311-3318

  Horvat, Sonia M ^a,b   Schiesser, Carl H ^a,b  

^a UNIVERSITY OF MELBOURNE   (Australia)

^b UNIVERSITY OF MELBOURNE   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO AND DFT; AB INITIO CALCULATIONS; AB INITIO TECHNIQUES; ACETYL RADICAL; ACYL RADICALS; ATTACK MECHANISM; BASIS SETS; CCSD; DENSITY FUNCTIONAL; DIMETHYLSILANE; HOMOLYTIC SUBSTITUTION; PSEUDOPOTENTIAL; SILICON ATOMS; TRANSITION STATE;

ENERGY BARRIERS; GERMANIUM; SUBSTITUTION REACTIONS; SULFUR COMPOUNDS;

TIN;

EID: 67449124403     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om801016x     Document Type: Article

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