Cargando…
QM-symex, update of the QM-sym database with excited state information for 173 kilo molecules
In the research field of material science, quantum chemistry database plays an indispensable role in determining the structure and properties of new material molecules and in deep learning in this field. A new quantum chemistry database, the QM-sym, has been set up in our previous work. The QM-sym i...
| Autores principales: | , , , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2020
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7675965/ https://www.ncbi.nlm.nih.gov/pubmed/33208742 http://dx.doi.org/10.1038/s41597-020-00746-1 |