ロード中...
Quantum mechanical static dipole polarizabilities in the QM7b and AlphaML showcase databases
While density functional theory (DFT) is often an accurate and efficient methodology for evaluating molecular properties such as energies and multipole moments, this approach often yields larger errors for response properties such as the dipole polarizability (α), which describes the tendency of a m...
保存先:
| 出版年: | Sci Data |
|---|---|
| 主要な著者: | , , , , , |
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
Nature Publishing Group UK
2019
|
| 主題: | |
| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6700155/ https://ncbi.nlm.nih.gov/pubmed/31427579 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41597-019-0157-8 |
| タグ: |
タグ追加
タグなし, このレコードへの初めてのタグを付けませんか!
|