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Ab initio calculations of low-lying electronic states of vinyl chloride

โœ Scribed by Chang, Jia-Lin; Chen, Yit-Tsong


Book ID
120452285
Publisher
American Institute of Physics
Year
2002
Tongue
English
Weight
406 KB
Volume
116
Category
Article
ISSN
0021-9606

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AB initio calculations of the dipole mom
โœ Koichi Yamashita; Keiji Morokuma ๐Ÿ“‚ Article ๐Ÿ“… 1987 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 297 KB

The structures and dipole moments of the four low-lying electronic states (X 211, A \*A, B 'C -and C \*Z ' ) of the linear CCN radical are investigated by ab initio calculations at SDCIlDZP and TZP levels. For all the electronically excited states, the dipole moments are calculated to be z 3.0 D. Ho