Deformed transition-state theory: Deviation from Arrhenius behavior and application to bimolecular hydrogen transfer reaction rates in the tunneling regime-Reference-Cited by-同舟云学术

Deformed transition-state theory: Deviation from Arrhenius behavior and application to bimolecular hydrogen transfer reaction rates in the tunneling regime

Published:2016-11-17 Issue:3 Volume:38 Page:178-188
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Carvalho-Silva Valter H.¹,Aquilanti Vincenzo²³,de Oliveira Heibbe C. B.⁴,Mundim Kleber C.⁴

Affiliation:

1. Grupo de Química Teórica e Estrutural de Anápolis; Unidade Universitária de Ciências Exatas e Tecnológicas, Universidade Estadual de Goiás; P.O. Box 459, 75001-970 Anápolis GO Brazil

2. Dipartimento di Chimica; Biologia e Biotecnologie, Università di Perugia; Via Elce di Sotto 8, 06123, Perugia, Italy. Instituto de Física, Universidade Federal da Bahia 40210 Salvador Brazil

3. Istituto di Struttura della Materia, Consiglio Nazionale delle Ricerche; 00016 Rome Italy

4. Instituto de Química, Universidade de Brasília; Caixa Postal 4478, 70904-970 Brasília Brazil

Funder

Ministero dell'Istruzione, dell'Università e della Ricerca

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

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