✦ LIBER ✦

Theoretical study on the stability and the structure

✍ Scribed by S. Yamabe; K. Hirao; K. Kitaura

Publisher: Elsevier Science
Year: 1978
Tongue: English
Weight: 243 KB
Volume: 56
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(78)89036-8

No coin nor oath required. For personal study only.

✦ Synopsis

The structure of Hh(n = 3,5,7,9,11) is determined from ab initio MO cakukxtions. The result for Hi(n = 5, 7,9) obtained by energy optimization in the 4-31G and 4-31G f p basis sets is reasonably eup!ained in terms of a charge-transfer interaction from Hz to Hi_2 site. The orientation of Hz toward the HG clmter (D3h) is found to be critically influenced

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