Basis set expansion and correlation effects on the computed proton afhities of the oxygen and nitrogen bases CH30H, H&O, CO, CH3NHz, CH2NH, and HCN have been evaluated. Basis set enhancements lead to systematic changes in computed proton ainities. These effects appear to be additive, and are greater
โฆ LIBER โฆ
Energetic correlation of oxygen affinities and soret absorption maxima of deoxyhemeproteins
โ Scribed by R.J. Kassner
- Publisher
- Elsevier Science
- Year
- 1983
- Tongue
- English
- Weight
- 308 KB
- Volume
- 79
- Category
- Article
- ISSN
- 0020-1693
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