Yüklüyor......
Terahertz spectroscopy of 2,4,6-trinitrotoluene molecular solids from first principles
We present a computational analysis of the terahertz spectra of the monoclinic and the orthorhombic polymorphs of 2,4,6-trinitrotoluene. Very good agreement with experimental data is found when using density functional theory that includes Tkatchenko–Scheffler pair-wise dispersion interactions. Furt...
Kaydedildi:
| Yayımlandı: | Beilstein J Org Chem |
|---|---|
| Asıl Yazarlar: | , , , , , , |
| Materyal Türü: | Artigo |
| Dil: | Inglês |
| Baskı/Yayın Bilgisi: |
Beilstein-Institut
2018
|
| Konular: | |
| Online Erişim: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5815306/ https://ncbi.nlm.nih.gov/pubmed/29507643 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3762/bjoc.14.26 |
| Etiketler: |
Etiketle
Etiket eklenmemiş, İlk siz ekleyin!
|