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Chemistry - A European Journal

Volumn 17, Issue 4, 2011, Pages 1230-1237

Dynamics effects on an E2/E1cb borderline mechanism: Unimolecular elimination of 2-Aryl-3-chloro-2-R-propanols

(2) Itoh, Shuhei a Yamataka, Hiroshi a

a RIKKYO UNIVERSITY (Japan)

Author keywords

elimination; molecular dynamics; path bifurcation; reaction mechanisms; transition states

Indexed keywords

CLOSED SHELLS; ELECTRON-WITHDRAWING SUBSTITUENTS; ELIMINATION; GRADUAL CHANGES; INTRINSIC REACTION COORDINATE; MOLECULAR DYNAMICS SIMULATIONS; MP2 LEVELS; OVERALL REACTIONS; PATH BIFURCATION; REACTION MECHANISM; REACTION ROUTES; TRANSITION STATE; TWO-PRODUCT; UNIMOLECULAR ELIMINATION;

BIFURCATION (MATHEMATICS); MOLECULAR DYNAMICS; OLEFINS; REACTION INTERMEDIATES; REACTION KINETICS;

DYNAMICS;

EID: 78751629326 PISSN: 09476539 EISSN: 15213765 Source Type: Journal
DOI: 10.1002/chem.201001926 Document Type: Article

Times cited : (14)

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