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The excited states of pyrazine: A basis set study

✍ Scribed by M. P. Fülscher; B. O. Roos


Book ID
105077061
Publisher
Springer
Year
1994
Tongue
English
Weight
622 KB
Volume
87
Category
Article
ISSN
1432-2234

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Minimal basis-set CNDO/Z(S+ DES CI) computations on trans-H-(SiH,),-H and H-(SiH,),-H yield low-lying excitation energies and oscillator strengths which parallel existing experimental spectra. The S, -\* S, transition moments are shown to be particularly sensitive to configuration mixing.