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Spectroscopic and Ab Initio Characterization of the [ReH 9 ] 2- Ion

โœ Scribed by Parker, Stewart F.; Refson, Keith; Williams, Kenneth P. J.; Braden, Dale A.; Hudson, Bruce S.; Yvon, Klaus

Book ID
121416076
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
201 KB
Volume
45
Category
Article
ISSN
0020-1669

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The structures, frequencies and thermochemistry of isomers of P20 + and its parent neutral molecule have been calculated using multiconfigurational self-consistent field and augmented coupled-cluster techniques together with large basis sets of spdf and spdfg quality. Our results appear to be the be