✦ LIBER ✦

First-Principles Investigations of the Structural, Vibrational and Thermochemical Properties of Barium Cerate - Another Test Case for Density-Functional Theory

✍ Scribed by Stoffel, Ralf Peter; Dronskowski, Richard

Book ID: 120821555
Publisher: John Wiley and Sons
Year: 2013
Tongue: German
Weight: 402 KB
Volume: 639
Category: Article
ISSN: 0372-7874
DOI: 10.1002/zaac.201300134

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Barium Peroxide: a Simple Test Case for

Barium Peroxide: a Simple Test Case for First-Principles Investigations on the Temperature Dependence of Solid-State Vibrational Frequencies

✍ Ralf Peter Stoffel; Prof. Dr. Richard Dronskowski 📂 Article 📅 2012 🏛 John Wiley and Sons 🌐 German ⚖ 338 KB

Updated references for the structural, e

Updated references for the structural, electronic, and vibrational properties of TiO[sub 2](B) bulk using first-principles density functional theory calculations

✍ Ben Yahia, Mouna; Lemoigno, Frédéric; Beuvier, Thomas; Filhol, Jean-Sébastien 📂 Article 📅 2009 🏛 American Institute of Physics 🌐 English ⚖ 895 KB