Ab initio calculations on transition met
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L. Seijo; Z. Barandiaran; M. Klobukowski; S. Huzinaga
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Article
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1985
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Elsevier Science
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English
β 236 KB
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.