Back to Search
Start Over
Well-normalized charge-transfer models: a more general derivation of the hard/soft-acid/base principle
- Source :
- Theoretical Chemistry Accounts. 140
- Publication Year :
- 2021
- Publisher :
- Springer Science and Business Media LLC, 2021.
-
Abstract
- We provide a general (yet elementary) proof of Pearson’s hard/soft acid/base principle. Contrary to previous attempts to justify this rule, we go beyond the venerable parabolic model of Parr and Pearson. This new treatment encompasses more realistic E versus N dependencies, while emphasizing the importance of the correct normalization of these models.
Details
- ISSN :
- 14322234 and 1432881X
- Volume :
- 140
- Database :
- OpenAIRE
- Journal :
- Theoretical Chemistry Accounts
- Accession number :
- edsair.doi...........a27303cfe5141fe690b97a1df9b07898