Assessment of popular DFT and semiempirical molecular orbital techniques for calculating relative transition state energies and kinetic product distributions in enantioselective organocatalytic reactions

Journal of Chemical Theory and Computation

Volumn 7, Issue 11, 2011, Pages 3586-3595

  Schenker, Sebastian ^a   Schneider, Christopher ^a   Tsogoeva, Svetlana B ^a   Clark, Timothy ^a,b  

^a UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

^b UNIVERSITY OF PORTSMOUTH   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 80755155947     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct2002013     Document Type: Article

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