✦ LIBER ✦

Density functional study of vibrational and thermodynamic properties of ringwoodite

✍ Scribed by Yu, Yonggang G.; Wentzcovitch, Renata M.

Book ID: 119670280
Publisher: American Geophysical Union
Year: 2006
Tongue: English
Weight: 887 KB
Volume: 111
Category: Article
ISSN: 0148-0227
DOI: 10.1029/2006jb004282

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Vibrational and thermodynamic properties

Vibrational and thermodynamic properties of wadsleyite: A density functional study

✍ Wu, Zhongqing; Wentzcovitch, Renata M. 📂 Article 📅 2007 🏛 American Geophysical Union 🌐 English ⚖ 803 KB

Structural and Vibrational Properties of

Structural and Vibrational Properties of Trehalose: A Density Functional Study

✍ Ballone, P.; Marchi, M.; Branca, C.; Magazú, S. 📂 Article 📅 2000 🏛 American Chemical Society 🌐 English ⚖ 83 KB

Vibrational and Thermodynamic Properties

Vibrational and Thermodynamic Properties of 2,2′,4,4′,6,6′-Hexanitroazobenzene and Its Derivatives: A Density Functional Theory Study

✍ Yan Liu; Xuedong Gong; Guixiang Wang; Lianjun Wang; Heming Xiao 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 187 KB

Density functional theory study of the v

Density functional theory study of the vibrational properties of hydrogenated graphene

✍ Zhou, X.H.; Huang, Y.; Chen, X.S.; Lu, W. 📂 Article 📅 2013 🏛 Elsevier Science 🌐 English ⚖ 906 KB

Density functional study of the phase di

Density functional study of the phase diagram and thermodynamic properties of Zr

✍ Cui-E. Hu; Zhao-Yi Zeng; Lin Zhang; Xiang-Rong Chen; Ling-Cang Cai 📂 Article 📅 2011 🏛 Elsevier Science 🌐 English ⚖ 620 KB

Density functional study of electronic,b

Density functional study of electronic,bonding, and vibrational properties of Ca (NH2BH3)2

✍ Ch. Bheema Lingam; K. Ramesh Babu; Surya P. Tewari; G. Vaitheeswaran 📂 Article 📅 2012 🏛 John Wiley and Sons 🌐 English ⚖ 867 KB

## Abstract We present structural, electronic, bonding and vibrational properties of new type hydrogen storage material calcium amidoborane ${\rm Ca}({\rm NH}\_{2}{\rm BH}\_{3})\_{2}$ by first principles density functional theory using plane wave pseudopotential method. The calculated ground state