✦ LIBER ✦

Structure Prediction Using Our Semiempirical Structure Map: The Crystal Structure of the New Arsenide ZrTiAs

✍ Scribed by Lee, Chi-Shen; Dashjav, Enkhtsetseg; Kleinke, Holger

Book ID: 125976726
Publisher: American Chemical Society
Year: 2001
Tongue: English
Weight: 95 KB
Volume: 13
Category: Article
ISSN: 0897-4756
DOI: 10.1021/cm010433g

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

ChemInform Abstract: Structure Predictio

ChemInform Abstract: Structure Prediction Using Our Semiempirical Structure Map: The Crystal Structure of the New Arsenide ZrTiAs.

✍ Chi-Shen Lee; Enkhtsetseg Dashjav; Holger Kleinke 📂 Article 📅 2010 🏛 John Wiley and Sons ⚖ 28 KB 👁 1 views

## Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable v

High-pressure crystal structure predicti

High-pressure crystal structure prediction of calcium borohydride using density functional theory

✍ Aeberhard, Philippe; Refson, Keith; Edwards, Peter; David, William 📂 Article 📅 2011 🏛 The American Physical Society 🌐 English ⚖ 421 KB

The Discovery of New Crystal Forms of 5-

The Discovery of New Crystal Forms of 5-Fluorocytosine Consistent with the Results of Computational Crystal Structure Prediction

✍ Hulme, Ashley T.; Tocher, Derek A. 📂 Article 📅 2006 🏛 American Chemical Society 🌐 English ⚖ 318 KB

On the use of slope and curvature maps i

On the use of slope and curvature maps in refinement of crystal structures

✍ Eichhorn, E. L. 📂 Article 📅 1955 🏛 International Union of Crystallography 🌐 English ⚖ 248 KB

The prediction of inorganic crystal stru

The prediction of inorganic crystal structures using a genetic algorithm and energy minimisation

✍ Woodley, Scott M.; Battle, Peter D.; Gale, Julian D.; Richard A. Catlow, C 📂 Article 📅 1999 🏛 Royal Society of Chemistry 🌐 English ⚖ 304 KB

Inorganic crystal structure prediction u

Inorganic crystal structure prediction using simplified potentials and experimental unit cells: application to the polymorphs of titanium dioxide

✍ Freeman, C. M.; Newsam, J. M.; Levine, S. M.; Catlow, C. R. A. 📂 Article 📅 1993 🏛 Royal Society of Chemistry 🌐 English ⚖ 726 KB