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A theoretical study of the bond-bond interaction force constant in XF2molecules

✍ Scribed by Roy Bruns; Lionel Raff; J. Paul Devlin


Publisher
Springer
Year
1969
Tongue
English
Weight
535 KB
Volume
14
Category
Article
ISSN
1432-2234

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A theoretical approach to substituent ef
✍ Alan L. Hinde; Addy Pross; Leo Radom πŸ“‚ Article πŸ“… 1980 πŸ› John Wiley and Sons 🌐 English βš– 808 KB

## Abstract __Ab initio__ molecular orbital calculations have been carried out for the neutrals Xο£ΏNH~2~, Xο£ΏOH, and Xο£ΏF and the anions Xο£ΏNH^βˆ’^ and Xο£ΏO^βˆ’^ with substituents X = Li, BeH, BH~2~, CH~3~, NH~2~, OH, and F. All structures have been fully optimized with the 4‐31G basis set which is found to