A theoretical study of the electronic sp
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Mercedes Rubio; Manuela MerchΓ‘n; Enrique OrtΓ; BjΓΆrn O. Roos
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Article
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1995
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Elsevier Science
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English
β 753 KB
The electronic spectrum of biphenyl in the energy range up to 6.0 eV has been studied using multiconfigurational secondorder perturbation theory (CASPT2) and a basis set of ANO type, including polarization functions on all carbon atoms. The calculated spectrum gives conclusive assignments to all val