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The lowest-lying Rydberg states of Si2: an ab initio study

✍ Scribed by Fouad L. Sefyani; Joël Schamps


Book ID
103666868
Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
705 KB
Volume
191
Category
Article
ISSN
0301-0104

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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