Ab Initio Molecular Dynamics Simulations of Elimination Reactions in Water Solution: Exploring the Borderline Region between the E1cb and E2 Reaction Mechanisms-Reference-Cited by-同舟云学术

Ab Initio Molecular Dynamics Simulations of Elimination Reactions in Water Solution: Exploring the Borderline Region between the E1cb and E2 Reaction Mechanisms

Published:2006-05-16 Issue:22 Volume:110 Page:11014-11019
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

De Angelis Filippo¹,Tarantelli Francesco¹,Alunni Sergio¹

Affiliation:

1. Istituto CNR di Scienze e Tecnologie Molecolari (ISTM), c/o Dipartimento di Chimica, Università di Perugia, Via elce di Sotto 8, I-06213, Perugia, Italy, and Dipartimento di Chimica, Università di Perugia, Via Elce di Sotto 8, I-06213, Perugia, Italy

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp061321l

Reference72 articles.

1. (a) Saunders, W. H., Jr.; Cockerill, A. F.Mechanism of Elimination Reaction; Wiley-Interscience Publication: New York, 1973; Vol. II, pp 60−68.

2. Distinguishing between concerted and nonconcerted eliminations

3. Leaving groups and nucleofugality in elimination and other organic reactions

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