Cargando...
Generalized Hybrid-Orbital Method for Combining Density Functional Theory with Molecular Mechanicals
The generalized hybrid orbital (GHO) method has previously been formulated for combining molecular mechanics with various levels of quantum mechanics, in particular semiempirical neglect of diatomic differential overlap theory, ab initio Hartree–Fock theory, and self-consistent charge density functi...
Guardado en:
| Publicado en: | Chemphyschem |
|---|---|
| Autores principales: | , , |
| Formato: | Artigo |
| Lenguaje: | Inglês |
| Publicado: |
2005
|
| Materias: | |
| Acceso en línea: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4481131/ https://ncbi.nlm.nih.gov/pubmed/16086343 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/cphc.200400602 |
| Etiquetas: |
Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
|