Caricamento...
The Pairwise Correlated Generalized Valence Bond Model of Electronic Structure I; The Estimation of Pair Energies from Orbital Overlaps
A new method for the accurate a priori calculation of atomic and molecular energies is proposed. The new method agrees with experiment to within less than 1 kcal/mole in all cases examined thus far, and is applicable to excited states and to transition states for chemical reactions. Since the new me...
Salvato in:
| Pubblicato in: | Proc Natl Acad Sci U S A |
|---|---|
| Autore principale: | |
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
National Academy of Sciences
1974
|
| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.govhttps://pmc.ncbi.nlm.nih.gov/articles/PMC388558/ https://ncbi.nlm.nih.govhttps://pubmed.ncbi.nlm.nih.gov/16592172/ https://ncbi.nlm.nih.govhttps://doi.org/10.1073/pnas.71.7.2795 |
| Tags: |
Aggiungi Tag
Nessun Tag, puoi essere il primo ad aggiungerne! !
|