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Basis set dependence of the calculated geometry of HNCO

✍ Scribed by Christopher Glidewell; Colin Thomson

Publisher: Elsevier Science
Year: 1982
Tongue: English
Weight: 223 KB
Volume: 86
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(82)83519-7

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✦ Synopsis

SW nlcuktt~ons 01 the equhbnum geometry or HNCO have been carried out using gradient techniques and a wde wwty of base sets it 1s concluded that 3d functionsore essential for r&able geometry prechctions III this and related ~socyanntes.

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