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Ab initio valence bond calculations and the spin-paired diradical character of S42+

โœ Scribed by Frances L. Skrezenek; Richard D. Harcourt


Publisher
Springer
Year
1985
Tongue
English
Weight
172 KB
Volume
67
Category
Article
ISSN
1432-2234

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๐Ÿ“œ SIMILAR VOLUMES


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## Abstract The ground and vertical valence ionized states of allene and butatriene have been studied in the __ab initio__ valence bond framework using the 6โ€“31G basis set after contraction and introducing the coreโ€“valence shell separation. The final wave functions have been analyzed in terms of VB

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