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The Electronic Structure and Stability of the Isomers of Octamolybdate

โœ Scribed by Bridgeman, Adam J.


Book ID
125980726
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
313 KB
Volume
106
Category
Article
ISSN
1089-5639

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The structure and stability of the lowest singlet and triplet states of a number of possible isomers of [CSH3] + have been studied using analytic SCF-gradient and multireference CI calculations. The barriers to isomerisation and to loss of H2 from singlet CH3 S+ have been calculated to facilitate di