Phase-transition behavior of (H2O)n=1−4 few-body systems from Car–Parrinello molecular dynamics
| Autor: | Ashkan Shekaari, Mahmoud Jafari |
|---|---|
| Rok vydání: | 2021 |
| Předmět: | |
| Zdroj: | Phase Transitions. 94:889-898 |
| ISSN: | 1029-0338 0141-1594 |
| DOI: | 10.1080/01411594.2021.1980564 |
| Popis: | Car–Parrinello molecular dynamics simulations were applied to investigate phase-transition behavior of (H2O)n few-body system for n=1−4 at BLYP-GGA level of density-functional theory. A number of i... |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|