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Bending in low-lying states of N2O+: A qualitative and ab initio molecular orbital study

✍ Scribed by A.R. Gregory


Book ID
107942027
Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
957 KB
Volume
90
Category
Article
ISSN
0301-0104

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Anomalously low-lying lowest excited tri
✍ Kota Sato; Akihiko Uchiyama; Susumu Iwabuchi; Tsuneo Hirano; Hideomi Koinuma πŸ“‚ Article πŸ“… 1992 πŸ› Elsevier Science 🌐 English βš– 266 KB

The anomalously low vertical excitation energy from the ground state to the lowest excited triplet state (T, ) is predicted for SiH2FCH=CH2 (4.6 eV) by the quantum chemical calculation using ab initio MP3/3-21 +G\*//HF/3-21 +G\* molecular orbital methods. The steric effect of the fluorine which alte