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Titolo:
THE CLAISEN REARRANGEMENT OF ALLYL VINYL ETHER IN THE GAS-PHASE AND AQUEOUS-SOLUTION - STRUCTURES AND ENERGIES PREDICTED BY HIGH-LEVEL AB-INITIO CALCULATIONS
Autore:
DAVIDSON MM; HILLIER IH; VINCENT MA;
Indirizzi:
UNIV MANCHESTER,DEPT CHEM MANCHESTER M13 9PL LANCS ENGLAND
Titolo Testata:
Chemical physics letters
fascicolo: 6, volume: 246, anno: 1995,
pagine: 536 - 540
SICI:
0009-2614(1995)246:6<536:TCROAV>2.0.ZU;2-1
Fonte:
ISI
Lingua:
ENG
Soggetto:
MECHANISM;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Science Citation Index Expanded
Citazioni:
19
Recensione:
Indirizzi per estratti:
Citazione:
M.M. Davidson et al., "THE CLAISEN REARRANGEMENT OF ALLYL VINYL ETHER IN THE GAS-PHASE AND AQUEOUS-SOLUTION - STRUCTURES AND ENERGIES PREDICTED BY HIGH-LEVEL AB-INITIO CALCULATIONS", Chemical physics letters, 246(6), 1995, pp. 536-540

Abstract

Structures of the reactant and transition state of the Claisen rearrangement of allyl vinyl ether are obtained at a higher level of electron correlation than previously reported, and yield a closer prediction of the activation barrier. The transition state is predicted to be more dissociative in aqueous solution than in the gas phase.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 04/12/20 alle ore 06:55:43