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On balanced basis sets in ab initio calculations of transition metal complexes

✍ Scribed by L.G. Vanquickenborne; J. Verhulst; B. Coussens; M. Hendrickx; K. Pierloot


Book ID
119116752
Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
772 KB
Volume
153
Category
Article
ISSN
0166-1280

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Ab initio calculations on transition met
✍ L. Seijo; Z. Barandiaran; M. Klobukowski; S. Huzinaga πŸ“‚ Article πŸ“… 1985 πŸ› Elsevier Science 🌐 English βš– 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.