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Development and signification of a geometry test

✍ Scribed by Hartmut wallrabenstein

Publisher
Springer
Year
1974
Tongue
English
Weight
422 KB
Volume
5
Category
Article
ISSN
0013-1954

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πŸ“œ SIMILAR VOLUMES

The geometry of pyrazole: A test for ab
The geometry of pyrazole: A test for ab initio calculations
✍ Antonio L. Llamas-Saiz; ConcepciΓ³n Foces-Foces; Otilia MΓ³; Manuel YÑñez; Eric El πŸ“‚ Article πŸ“… 1995 πŸ› John Wiley and Sons 🌐 English βš– 755 KB

## Abstract __Ab initio__ calculations on the structure of pyrazole have been carried out at different levels of accuracy. At the Hartree‐Fock (HF) level, the performance of several basis sets, namely 3‐21G, 6‐31G, 6‐31G\*\*, and 6–311G\*\* was investigated. The influence of electron correlation ef