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Ab Initio MO Studies on Electronic States of DCNQI Molecules

✍ Scribed by Imamura, Yutaka; Ten-no, Seiichiro; Tanimura, Yoshitaka


Book ID
125940811
Publisher
American Chemical Society
Year
1999
Tongue
English
Weight
90 KB
Volume
103
Category
Article
ISSN
0022-3654

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πŸ“œ SIMILAR VOLUMES


Ab initio MO studies of DCNQI molecules
✍ Y. Imamura; S. Ten-no; Y. Tanimura πŸ“‚ Article πŸ“… 1999 πŸ› Elsevier Science 🌐 English βš– 222 KB
Ab initio study of four low-lying electr
✍ Z.-L. Cai; X.-G. Zhang; X.-Y. Wang πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 499 KB

The equilibrium geometries, excitation energies, force constants and vibrational frequencies for the low-lying electronic states X %-, a 'A, A 3n and 1 'II of the CCS molecule have been calculated at the MRSDCI level with a double-zeta plus polarization basis set. Our optimized geometric parameters