Simulation of Capture and Release Processes of Hydrogen by β-Hydroquinone Clathrate

[Image: see text] Using molecular simulation techniques, we investigate the storage capabilities of H(2) gas by the clathrate of hydroquinone (HQ). Quantum mechanics calculations have been used to assess structure and interactions at the atomic scale and molecular dynamics to model the HQ clathrate...

Ful tanımlama

Kaydedildi:
Detaylı Bibliyografya
Yayımlandı:ACS Omega
Asıl Yazarlar: Pérez-Rodríguez, Martín, Otero-Fernández, Javier, Comesaña, Antonio, Fernández-Fernández, Ángel M., Piñeiro, Manuel M.
Materyal Türü: Artigo
Dil:Inglês
Baskı/Yayın Bilgisi: American Chemical Society 2018
Online Erişim:https://ncbi.nlm.nih.gov/pmc/articles/PMC6644111/
https://ncbi.nlm.nih.gov/pubmed/31458440
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.8b01798
Etiketler: Etiketle
Etiket eklenmemiş, İlk siz ekleyin!

Benzer Materyaller