Accurate reaction barrier heights of pericyclic reactions: Surprisingly large deviations for the CBS-QB3 composite method and their consequences in DFT benchmark studies (Q58201147)
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scientific article published on 03 February 2015
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Accurate reaction barrier heights of pericyclic reactions: Surprisingly large deviations for the CBS-QB3 composite method and their consequences in DFT benchmark studies |
scientific article published on 03 February 2015 |
Statements
Accurate reaction barrier heights of pericyclic reactions: Surprisingly large deviations for the CBS-QB3 composite method and their consequences in DFT benchmark studies (English)
3 February 2015