Loading...
Hydrogen-bond structure dynamics in bulk water: insights from ab initio simulations with coupled cluster theory
An accurate and efficient ab initio molecular dynamics (AIMD) simulation of liquid water was made possible using the fragment-based approach (J. F. Liu, X. He and J. Z. H. Zhang, Phys. Chem. Chem. Phys., 2017, 19, 11931–11936). In this study, we advance the AIMD simulations using the fragment-based...
Na minha lista:
| Udgivet i: | Chem Sci |
|---|---|
| Main Authors: | , , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
Royal Society of Chemistry
2017
|
| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5885775/ https://ncbi.nlm.nih.gov/pubmed/29675248 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c7sc04205a |
| Tags: |
Tilføj Tag
Ingen Tags, Vær først til at tagge denne postø!
|