Theoretical study of the nโฯ* transition
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Yordanka Dimitrova; Sigrid D. Peyerimhoff
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Article
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1994
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Elsevier Science
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English
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MRD-CI calculations have been carried out for hydrogen-bonded complexes involving formaldehyde and a series of proton donors of varying strengths: N&OH, NH=CHOH, CHr=CHOH and HsO. The energies for the singlet and triplet n-+x\* states of the various complexes are calculated and the shift in the tran