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A Theoretical study of the SiCN radical

โœ Scribed by A. Largo-Cabrerizo


Book ID
107733073
Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
316 KB
Volume
147
Category
Article
ISSN
0009-2614

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๐Ÿ“œ SIMILAR VOLUMES


A comparative theoretical study of the C
โœ A. Largo-Cabrerizo; C. Barrientos ๐Ÿ“‚ Article ๐Ÿ“… 1988 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 578 KB

Ab initio calculations at the HF/6-31G\* level have been carried out to determine the molecular structure of the isomers of GIN+ and SiCN+, followed by correlated calculations at the MP4 level. CNC+ and SiNC+ are found to be more stable than CCN+ and SiCN', respectively. Isomerization barriers of 29

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We report a preliminary ab initio study of the ground state of the HCCS radical. The results are discussed in relation to a tiansient absorption spectrum observed in the flash photolysis of thiophene.

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