The transition from the open minimum to the ring minimum on the ground state and on the lowest excited state of like symmetry in ozone: A configuration interaction study.

Theis, Daniel; Ivanic, Joseph; Windus, Theresa L; Ruedenberg, Klaus

Theis, Daniel; Ivanic, Joseph; Windus, Theresa L; Ruedenberg, Klaus.

Afiliação

Theis D; Department of Chemistry and Ames Laboratory USDOE, Iowa State University, Ames, Iowa 50011, USA.
Ivanic J; Advanced Biomedical Computing Center, Frederick National Laboratory for Cancer Research, DSITP, Leidos Biomedical Research, Inc., Frederick, Maryland 21702, USA.
Windus TL; Department of Chemistry and Ames Laboratory USDOE, Iowa State University, Ames, Iowa 50011, USA.
Ruedenberg K; Department of Chemistry and Ames Laboratory USDOE, Iowa State University, Ames, Iowa 50011, USA.

J Chem Phys ; 144(10): 104304, 2016 Mar 14.

Article em En | MEDLINE | ID: mdl-26979690

Assuntos

Modelos Químicos; Ozônio/química; Isomerismo; Estrutura Molecular; Teoria Quântica

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Texto completo: 1 Bases de dados: MEDLINE Assunto principal: Ozônio / Modelos Químicos Tipo de estudo: Prognostic_studies Idioma: En Revista: J Chem Phys Ano de publicação: 2016 Tipo de documento: Article País de afiliação: Estados Unidos

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