The method of approximation of the frozen molecular fragment (FMF) we derived has been applied to calculations of proton affinities. Results are in good agreement with experimental data and extended basis set calculations.
Simple Ab Initio Model for Calculating the Absolute Proton Affinity of Aromatics
✍ Scribed by Maksić, Zvonimir B.; Kovačević, Borislav; Kovaček, Damir
- Book ID
- 121486218
- Publisher
- American Chemical Society
- Year
- 1997
- Tongue
- English
- Weight
- 175 KB
- Volume
- 101
- Category
- Article
- ISSN
- 1089-5639
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