Wordt geladen...
Benchmark Study of the SCC-DFTB Approach for a Biomolecular Proton Channel
The self-consistent charge density functional tight binding (SCC-DFTB) method has been increasingly applied to study proton transport (PT) in biological environments. However, recent studies revealing some significant limitations of SCC-DFTB for proton and hydroxide solvation and transport in bulk a...
Bewaard in:
| Hoofdauteurs: | , , |
|---|---|
| Formaat: | Artigo |
| Taal: | Inglês |
| Gepubliceerd in: |
2014
|
| Onderwerpen: | |
| Online toegang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4120842/ https://ncbi.nlm.nih.gov/pubmed/25104919 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct400832r |
| Tags: |
Voeg label toe
Geen labels, Wees de eerste die dit record labelt!
|