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Active-space symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster methods for high accuracy calculations of potential energy surfaces of radicals
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10.1063/1.2723121
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    Affiliations:
    1 Fukui Institute for Fundamental Chemistry, Kyoto University, Kyoto 606-8103, Japan
    2 Fukui Institute for Fundamental Chemistry, Kyoto University, Kyoto 606-8103, Japan and Department of Chemistry, Michigan State University, East Lansing, Michigan 48824
    3 Department of Chemistry, Michigan State University, East Lansing, Michigan 48824
    4 Department of Synthetic Chemistry and Biological Chemistry, Graduate School of Engineering, Kyoto University, Kyoto 615-8510, Japan
    5 Fukui Institute for Fundamental Chemistry, Kyoto University, Kyoto 606-8103, Japan and Department of Synthetic Chemistry and Biological Chemistry, Graduate School of Engineering, Kyoto University, Kyoto 615-8510, Japan
    a) Present address: Department of Theoretical Studies, Institute for Molecular Science, Myodaiji, Okazaki, Aichi 444-8585, Japan.
    b) Author to whom correspondence should be addressed. Electronic mail: piecuch@chemistry.msu.edu
    c) Electronic mail: hiroshi@sbchem.kyoto-u.ac.jp
    J. Chem. Phys. 126, 164111 (2007); http://dx.doi.org/10.1063/1.2723121
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/content/aip/journal/jcp/126/16/10.1063/1.2723121
2007-04-25
2014-12-20
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Active-space symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster methods for high accuracy calculations of potential energy surfaces of radicals
http://aip.metastore.ingenta.com/content/aip/journal/jcp/126/16/10.1063/1.2723121
10.1063/1.2723121
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