Загрузка...
Semiempirical Quantum-Chemical Orthogonalization-Corrected Methods: Benchmarks for Ground-State Properties
[Image: see text] The semiempirical orthogonalization-corrected OMx methods (OM1, OM2, and OM3) go beyond the standard MNDO model by including additional interactions in the electronic structure calculation. When augmented with empirical dispersion corrections, the resulting OMx-Dn approaches offer...
Сохранить в:
| Опубликовано в: : | J Chem Theory Comput |
|---|---|
| Главные авторы: | , , , , |
| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
American
Chemical Society
2016
|
| Online-ссылка: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4785506/ https://ncbi.nlm.nih.gov/pubmed/26771261 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.5b01047 |
| Метки: |
Добавить метку
Нет меток, Требуется 1-ая метка записи!
|