✦ LIBER ✦

Superconductive superhard phase of BC7: Predicted via ab initio calculations

✍ Scribed by Dong, Bowu; Tian, Fubo; Duan, Defang; Jin, Xilian; Cui, Tian; Zou, Guangtian

Book ID: 122486785
Publisher: Elsevier Science
Year: 2011
Tongue: English
Weight: 965 KB
Volume: 20
Category: Article
ISSN: 0925-9635
DOI: 10.1016/j.diamond.2011.01.034

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Prediction of a superconductive superhar

Prediction of a superconductive superhard material: Diamond-like BC7

✍ Xu, Lifang; Zhao, Zhisheng; Wang, Qianqian; Wang, Li-Min; Xu, Bo; He, Julong; Ti 📂 Article 📅 2011 🏛 American Institute of Physics 🌐 English ⚖ 994 KB

Application of ab initio electronic stru

Application of ab initio electronic structure calculations for prediction of phase equilibria in superaustenitic steels

✍ J. Vřešt’ál; A. Kroupa; M. Šob 📂 Article 📅 2006 🏛 Elsevier Science 🌐 English ⚖ 515 KB

Ab Initio MO Calculations of Effective E

Ab Initio MO Calculations of Effective Exchange Integrals between Transition-Metal Ions via Oxygen Dianions: Nature of the Copper-Oxygen Bonds and Superconductivity

✍ Yamaguchi, Kizashi; Takahara, Yoichi; Fueno, Takayuki; Nasu, Keiichiro 📂 Article 📅 1987 🏛 Institute of Pure and Applied Physics 🌐 English ⚖ 506 KB

The Claisen rearrangement of allyl vinyl

The Claisen rearrangement of allyl vinyl ether in the gas phase and aqueous solution. Structures and energies predicted by high-level ab initio calculations

✍ Mark M. Davidson; Ian H. Hillier; Mark A. Vincent 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 348 KB

Structures of the reactant and transition state of the Claisen rearrangement of allyl vinyl ether are obtained at a higher level of electron correlation than previously reported, and yield a closer prediction of the activation barrier. The transition state is predicted to be more dissociative in aqu

Prediction of the ordering behaviours of

Prediction of the ordering behaviours of the orthorhombic phase based on Ti2AlNb alloys by combining thermodynamic model with ab initio calculation

✍ Bo Wu; Matvei Zinkevich; Fritz Aldinger; Maoyou Chu; Jianyun Shen 📂 Article 📅 2008 🏛 Elsevier Science 🌐 English ⚖ 590 KB

Phase stability of ternary antifluorite

Phase stability of ternary antifluorite type compounds in the quasi-binary systems Mg2X–Mg2Y (X, Y = Si, Ge, Sn) via ab-initio calculations

✍ Romain Viennois; Catherine Colinet; Philippe Jund; Jean-Claude Tédenac 📂 Article 📅 2012 🏛 Elsevier Science 🌐 English ⚖ 440 KB