๐”– Bobbio Scriptorium
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A theoretical study of some organic negative molecular ions and their simple fission processes

โœ Scribed by Christopher W. Sweeney; C.Anthony Wellington

Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
795 KB
Volume
62
Category
Article
ISSN
0168-1176

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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