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Anab initiostudy of the molecules P2O and P2O+

✍ Scribed by Fernando R. Ornellas; Adélia J. A. Aquino


Publisher
Springer
Year
1991
Tongue
English
Weight
565 KB
Volume
79
Category
Article
ISSN
1432-2234

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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