A carregar...
Adding Explicit Solvent Molecules to Continuum Solvent Calculations for the Calculation of Aqueous Acid Dissociation Constants
Aqueous acid dissociation free energies for a diverse set of 57 monoprotic acids have been calculated using a combination of experimental and calculated gas and liquid-phase free energies. For ionic species, aqueous solvation free energies were calculated using the recently developed SM6 continuum s...
Na minha lista:
| Main Authors: | , , |
|---|---|
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2006
|
| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2528253/ https://ncbi.nlm.nih.gov/pubmed/16480309 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp055336f |
| Tags: |
Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!
|