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Corrigendum to: a computational study of proton and electron affinities

✍ Scribed by Ronald R. Sauers


Book ID
113929140
Publisher
Elsevier Science
Year
2012
Tongue
French
Weight
85 KB
Volume
68
Category
Article
ISSN
0040-4020

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πŸ“œ SIMILAR VOLUMES


A molecular orbital study of protonation
✍ Janet E. Del Bene πŸ“‚ Article πŸ“… 1978 πŸ› Elsevier Science 🌐 English βš– 380 KB

this study, an evaluation has been made of the performance of the minimal STO-3G and the extended 4-3 iG basis sets, and of the effect of the rigid monomer r&riction in the calculation of the relative proton affinities of the bases H2C0, CH&HO, and HCOOH. The best agreement between the computed and