Prediction of Tetraoxygen Reaction Mechanism with Sulfur Atom on the Singlet Potential Energy Surface

The mechanism of S+O(4) (D(2h)) reaction has been investigated at the B3LYP/6-311+G(3df) and CCSD levels on the singlet potential energy surface. One stable complex has been found for the S+O(4) (D(2h)) reaction, IN1, on the singlet potential energy surface. For the title reaction, we obtained four...

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Detalles Bibliográficos
Autores principales: Khademzadeh, Ashraf, Vahedpour, Morteza, Karami, Fereshte
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Hindawi Publishing Corporation 2014
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3920618/
https://www.ncbi.nlm.nih.gov/pubmed/24587763
http://dx.doi.org/10.1155/2014/912391

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3920618/
https://www.ncbi.nlm.nih.gov/pubmed/24587763
http://dx.doi.org/10.1155/2014/912391

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