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Ab initio calculations of the stability of the NH+5 ion

✍ Scribed by O.P. Bugaets; D.A. Zhogolev

Publisher: Elsevier Science
Year: 1977
Tongue: English
Weight: 365 KB
Volume: 45
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(77)80064-x

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✦ Synopsis

Some fragments of the NH: potential surface have be.=n calculated by the SCF MO LCAO method using a basis of linear combinations of gaussian lobe functions. The NH; ion was found to be stable against dissociation into NH3 and H; or NH; and Hz. Its stability with respect to decomposition into NH; and H remains to be seen.

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