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Theoretical Study of HNXH (X: N, P, As, Sb, and Bi) Isomers in the Singlet and Triplet States.

✍ Scribed by Chin-Hung Lai; Ming-Der Su; San-Yan Chu


Publisher
John Wiley and Sons
Year
2003
Weight
56 KB
Volume
34
Category
Article
ISSN
0931-7597

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Theoretical characterizations of HAsXH (
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## Abstract The lowest singlet and triplet potential energy surfaces for all group 15 HAsXH (X = N, P, As, Sb, and Bi) systems have been explored through __ab initio__ calculations. The geometries of the various isomers were determined at the QCISD/LANL2DZdp level and confirmed to be minima by vibr