✦ LIBER ✦

Structural and bonding properties of stannate pyrochlores: A density functional theory investigation

✍ Scribed by Z.J. Chen; H.Y. Xiao; X.T. Zu; L.M. Wang; Fei Gao; Jie Lian; Rodney C. Ewing

Book ID: 116374960
Publisher: Elsevier Science
Year: 2008
Tongue: English
Weight: 434 KB
Volume: 42
Category: Article
ISSN: 0927-0256
DOI: 10.1016/j.commatsci.2007.09.019

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Structural and electronic properties of

Structural and electronic properties of CaS Crystal: A density functional theory investigation

✍ Z.J. Chen; H.Y. Xiao; X.T. Zu 📂 Article 📅 2007 🏛 Elsevier Science 🌐 English ⚖ 414 KB

Structural, Electronic, and Bonding Prop

Structural, Electronic, and Bonding Properties of Zeolite Sn-Beta: A Periodic Density Functional Theory Study

✍ Sharan Shetty; Sourav Pal; Dilip G. Kanhere; Annick Goursot 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 471 KB 👁 2 views

Structural, electronic, bonding, and ela

Structural, electronic, bonding, and elastic properties of NH3BH3: A density functional study

✍ Ch. Bheema Lingam; K. Ramesh Babu; Surya P. Tewari; G. Vaitheeswaran 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 493 KB 👁 1 views

The structural, electronic, bonding, and elastic properties of the low-temperature orthorhombic phase of NH 3 BH 3 are studied by means of first-principles total energy calculations based on the pseudopotential method. The calculated structural parameters of NH 3 BH 3 are found to be in good agreeme

Ab initio density functional theory inve

Ab initio density functional theory investigation of structural and electronic properties of silicon carbide nanotube bundles

✍ Rostam Moradian; Somayeh Behzad; Raad Chegel 📂 Article 📅 2008 🏛 Elsevier Science 🌐 English ⚖ 270 KB

Structural and electronic properties of

Structural and electronic properties of InmSen microclusters: density functional theory calculations

✍ Ş. Erkoç; Ş. Katircioğlu; T. Yilmaz 📂 Article 📅 2001 🏛 Elsevier Science 🌐 English ⚖ 109 KB

Density-functional theory study of struc

Density-functional theory study of structural and electronic properties of and clusters

✍ Xue-Ling Lei; Wen-Jie Zhao; Gui-Xian Ge; Zhi Yang; Yu-Li Yan; You-Hua Luo 📂 Article 📅 2008 🏛 Elsevier Science 🌐 English ⚖ 528 KB