Hydrogen Intramolecular Stretch Redshift in the Electrostatic Environment of Type II Clathrate Hydrates from Schrödinger Equation Treatment
The one-dimensional Schrödinger equation, applied to the H<sub>2</sub> intramolecular stretch coordinate in singly to quadruply occupied large cages in extended Type II (sII) hydrogen clathrate hydrate, was solved numerically herein via potential-energy scans from classical molecular dynamics (MD),...
Kaydedildi:
| Asıl Yazarlar: | , , , |
|---|---|
| Materyal Türü: | Artigo |
| Dil: | Inglês |
| Baskı/Yayın Bilgisi: |
MDPI AG
2020-11-01
|
| Seri Bilgileri: | Applied Sciences |
| Konular: | |
| Online Erişim: | https://www.mdpi.com/2076-3417/10/23/8504 |
| Etiketler: |
Etiket eklenmemiş, İlk siz ekleyin!
|