Scaling of correlation basis set extension energies
β Scribed by Zhen-Hua Li; Ming Wah Wong
- Book ID
- 108312247
- Publisher
- Elsevier Science
- Year
- 2001
- Tongue
- English
- Weight
- 100 KB
- Volume
- 337
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
The protonstion energ& of HzCO and its monosub&ituted derivatives RCHO, where R is CHJ, NHz, OH. and 1'. hwc been evaluated at various levels of theor)r to determine the dependence of absolute and relative protonation energies on wometry, basis set, and correlation effects. Rclhble absolute protonat
## Abstract The nitrogen protonation energies of the imino bases HNο£ΎCH__R__, where __R__ is H, CH~3~, NH~2~, OH, and F, have been evaluated to determine the dependence of absolute and relative protonation energies on geometry, basis set, and correlation effects. Reliable absolute protonation energi