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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...
Autores principales: | Khademzadeh, Ashraf, Vahedpour, Morteza, Karami, Fereshte |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Hindawi Publishing Corporation
2014
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Materias: | |
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 |
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