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General valence force fields of the free and the coordinated cyclopentadienyl anion

✍ Scribed by T. Polzer; W. Kiefer


Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
368 KB
Volume
508
Category
Article
ISSN
0022-328X

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πŸ“œ SIMILAR VOLUMES


Contracted and supercontracted basis set
✍ Renzo Cimiraglia; Daniel Maynau; Maurizio Persico πŸ“‚ Article πŸ“… 1988 πŸ› Elsevier Science 🌐 English βš– 317 KB

In this paper we apply a technique, recently proposed for organic substituents, to the cyclopentadienyl anion. The technique allows us to reduce the size of the basis set without seriously affecting the quality of the ab initio calculations. This is illustrated by the determination of the Fe-ring di