Back to Search
Start Over
Correcting π-delocalisation errors in conformational energies using density-corrected DFT, with application to crystal polymorphs
- Source :
- Molecular Physics.
- Publication Year :
- 2022
- Publisher :
- Informa UK Limited, 2022.
Details
- ISSN :
- 13623028 and 00268976
- Database :
- OpenAIRE
- Journal :
- Molecular Physics
- Accession number :
- edsair.doi...........b97d5247ebcdafd6f1c3158087fc4b72
- Full Text :
- https://doi.org/10.1080/00268976.2022.2138789