A comparative multi‐reference configuration interaction study of the low‐lying states of two thione isomers of thiophenol-Reference-Cited by-同舟云学术

A comparative multi‐reference configuration interaction study of the low‐lying states of two thione isomers of thiophenol

Published:2020-06-11 Issue:16 Volume:120 Page:
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int J Quantum Chem

Author:

Lima Filipe Belarmino de¹,Pereira Rodrigues Gessenildo²,Lucena Júnior Juracy Regis³,Ventura Elizete¹^ORCID,Fausto Rui⁴,Reva Igor⁴^ORCID,Monte Silmar Andrade¹^ORCID

Affiliation:

1. Departamento de Química, CCENUniversidade Federal da Paraíba João Pessoa Paraíba Brazil

2. Faculdade Rebouças Campina Grande Paraíba Brazil

3. Departamento de QuímicaUniversidade Estadual da Paraíba Campina Grande Paraíba Brazil

4. CQC‐Departament of ChemistryUniversity of Coimbra Coimbra 3004‐535 Portugal

Funder

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

Financiadora de Estudos e Projetos

Fundação para a Ciência e a Tecnologia

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/qua.26263

Reference29 articles.

1. Theoretical study on the unimolecular decomposition of thiophenol

2. Hydrogen atom transfer reactions in thiophenol: photogeneration of two new thione isomers

3. Photoinduced Formation of H-Bonded Ion Pair in HCFC-133a

4. Photochemistry of CF3Cl: Quenching of Charged Fragments Is Caused by Nonadiabatic Effects

5. Photochemistry of CH3Cl: Dissociation and CH···Cl Hydrogen Bond Formation

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