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...

Descripción completa

Detalles Bibliográficos
Autores principales: Liang, Jiechun, Ye, Shuqian, Dai, Tianshu, Zha, Ziyue, Gao, Yuechen, Zhu, Xi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2020
Materias:
Data Descriptor
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

Internet

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

Ejemplares similares