Digitale Medien
Springer
Theoretical and experimental chemistry
24 (1988), S. 206-209
ISSN:
1573-935X
Quelle:
Springer Online Journal Archives 1860-2000
Thema:
Chemie und Pharmazie
Notizen:
Abstract Parallel calculations of the spectrum of the low-lying electronic states of the TiO molecule have been performed by the nonempirical configuration-interaction method and the SCF-Xα method. The calculations were performed for the experimental value of the equilibrium internuclear distance in the ground electronic state. The electronic spectrum has been assigned on the basis of the results obtained, and the existence of a low-lying state of 3Σ- symmetry has been confirmed.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1007/BF00531197
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