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Ab initio calculations on transition metal compounds using small minimal GTO basis sets

✍ Scribed by L. Seijo; Z. Barandiaran; M. Klobukowski; S. Huzinaga

Publisher: Elsevier Science
Year: 1985
Tongue: English
Weight: 236 KB
Volume: 117
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(85)85225-8

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✦ Synopsis

A group 01 small minimal GTO basis sc~5 was lested for a set or molecules containing first-and second-row transition metal atoms. The resul& are more uniform in quality Lhan Lhose obtained by the use 01 the STOJG basis sek.

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