The predicted spectrum and singlet-triplet interaction of the hypermetallic molecule SrOSr

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DOIResolve DOI: http://doi.org/10.1021/jp310531s
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TypeArticle
Journal titleThe Journal of Physical Chemistry A
ISSN1089-5639
Volume117
Issue39
Pages93709379; # of pages: 10
SubjectAb initio simulations; Complete active space self-consistent fields; Effective core potential; Electronic absorption bands; Ground electronic state; Multi reference configuration interactions; Triplet electronic state; Vertical excitation energy; Absorption spectroscopy; Light absorption; Molecules; Perturbation techniques; Quantum chemistry; Electronic states
Publication date
LanguageEnglish
Peer reviewedYes
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NPARC number21270505
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Record identifierb3e844ca-e653-48f9-808e-14d355a605fd
Record created2014-02-14
Record modified2017-03-23
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