✦ LIBER ✦

Prediction of mineral crystal structures

✍ Scribed by S.C. Parker

Book ID: 107914018
Publisher: Elsevier Science
Year: 1983
Tongue: English
Weight: 568 KB
Volume: 8
Category: Article
ISSN: 0167-2738
DOI: 10.1016/0167-2738(83)90014-0

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Crystal Structures of the Clay Mineral H

Crystal Structures of the Clay Mineral Hydrates

✍ HENDRICKS, STERLING B. 📂 Article 📅 1938 🏛 Nature Publishing Group 🌐 English ⚖ 96 KB

Prediction of crystal structures from cr

Prediction of crystal structures from crystal chemistry rules by simulated annealing

✍ Pannetier, J.; Bassas-Alsina, J.; Rodriguez-Carvajal, J.; Caignaert, V. 📂 Article 📅 1990 🏛 Nature Publishing Group 🌐 English ⚖ 366 KB

Model predicts structure of crystals

✍ Sanderson, Katharine 📂 Article 📅 2007 🏛 Nature Publishing Group 🌐 English ⚖ 105 KB

Fast clustering of equivalent structures

Fast clustering of equivalent structures in crystal structure prediction

✍ Van Eijck, Bouke P.; Kroon, Jan 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 147 KB 👁 2 views

Most methods of crystal structure prediction generate many trial structures. Because these may differ in choice of unit cell, it is not always immediately obvious whether or not two such structures are equivalent. A method to answer this question is described for the case where the asymmetric unit c

Crystal structure prediction for enilura

Crystal structure prediction for eniluracil

✍ Mark Sacchetti; Peter G. Varlashkin; Stacey T. Long; Robert W. Lancaster 📂 Article 📅 2001 🏛 John Wiley and Sons 🌐 English ⚖ 244 KB

State-of-the-art molecular modeling tools were used to predict the crystal structure of eniluracil, a compound for which it has not been possible to grow a single crystal. Two methods were used, one that incorporates molecular structure and powder X-ray diffraction data and another that employs mole

Progress in Crystal Structure Prediction

✍ Dr. John Kendrick; Dr. Frank J. J. Leusen; Dr. Marcus A. Neumann; Dr. Jacco van 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 722 KB

## Abstract The results of the application of a density functional theory method incorporating dispersive corrections in the 2010 crystal structure prediction blind test are reported. The method correctly predicted four out of the six experimental structures. Three of the four correct predictions w