𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ar-Matrix IR Spectra of 5-Halouracils Interpreted by Means of DFT Calculations

✍ Scribed by Dobrowolski, Jan Cz.; Rode, Joanna E.; Kołos, Robert; Jamróz, Michał H.; Bajdor, Krzysztof; Mazurek, Aleksander P.


Book ID
121208189
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
356 KB
Volume
109
Category
Article
ISSN
1089-5639

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Interpretation of sulphur 2p XPS spectra
✍ Gerson, Andrea R.; Bredow, Thomas 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 150 KB

First-principles quantum chemical calculations have been used to reproduce S 2p x-ray photoelectron spectroscopy binding energies for a number of sulphide minerals where accurate experimental data are available. Periodic calculations have been performed with the Hartree-Fock/density functional hybri