Carbocation branching observed in a simulation

Journal of Physical Chemistry A

Volumn 111, Issue 27, 2007, Pages 5945-5947

  East, A L L ^a   Bucko, T ^b   Hafner, J ^b  

^a UNIVERSITY OF REGINA   (Canada)

^b UNIVERSITY OF VIENNA   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

CARBONIZATION; ENTROPY; GEOMETRY; OPTIMIZATION;

AB INITIO MOLECULAR DYNAMICS (AIMD); CARBENIUM ION STRUCTURES; CARBOCATION; ENTROPY EFFECTS;

MOLECULAR DYNAMICS;

EID: 34547319458     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp072327t     Document Type: Article

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