Ab initio and semiempirical studies on the transition structure of the baeyer and villiger rearrangement. The reaction of acetone with performic acid

Journal of Physical Chemistry A

Volumn 101, Issue 2, 1997, Pages 192-200

  Cárdenas, Renán ^a   Cetina, Raúl ^a   Lagúnez Otero, Jaime ^a   Reyes, Lino ^a  

^a UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CHEMICAL BONDS; COMPUTATIONAL METHODS; MOLECULAR STRUCTURE; PROTONS; REACTION KINETICS; TOPOLOGY; VECTORS;

BAEYER VILLIGER REACTION; ELLIPTIC COORDINATES; MULLIKEN CHARGES; PERFORMIC ACID; RATE LIMITING STEP (RLS); TRANSITION STATE STRUCTURES (TSS);

ACETONE;

EID: 0031560527     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp960527r     Document Type: Article

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