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Generalized valence bond description of simple alkanes, ethylene, and acetylene

✍ Scribed by Hay, P. Jeffrey; Hunt, William J.; Goddard, William A.


Book ID
111969347
Publisher
American Chemical Society
Year
1972
Tongue
English
Weight
831 KB
Volume
94
Category
Article
ISSN
0002-7863

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πŸ“œ SIMILAR VOLUMES


Scaled single-zeta basis set for use wit
✍ Jules W. Moskowitz; Sid Topiol; Lawrence C. Snyder; Mark A. Ratner πŸ“‚ Article πŸ“… 1981 πŸ› John Wiley and Sons 🌐 English βš– 330 KB

## Abstract A compact and efficient scaled single‐zeta basis set has been developed for use in conjunction with the coreless Hartree–Fock silicon effective potential. The scale factors were determined by minimizing the electronic energy of the disilane molecule. Based upon a generalized valence bon