Results 231 to 240 of about 101,057 (252)
Some of the next articles are maybe not open access.
Crystal structure prediction with machine learning-based element substitution
Computational Materials Science, 2022Ryo Yoshida, Minoru Kusaba
exaly
Unmasking a Third Polymorph of a Benchmark Crystal‐Structure‐Prediction Compound
Angewandte Chemie - International Edition, 2009Adam Matzger, Saikat Roy
exaly
Crystal structure prediction of small organic molecules: a second blind test
Acta Crystallographica Section B: Structural Science, 2002Jack Dunitz +2 more
exaly
Molecule VI, a Benchmark Crystal‐Structure‐Prediction Sulfonimide: Are Its Polymorphs Predictable?
Angewandte Chemie - International Edition, 2011John Kendrick
exaly
XtalOpt version r7: An open-source evolutionary algorithm for crystal structure prediction
Computer Physics Communications, 2011Eva Žurek
exaly
Crystal structure prediction by data mining
Journal of Molecular Structure, 2003Joannis Apostolakis, Detlef W M Hofmann
exaly
Examples of successful crystal structure prediction: polymorphs of primidone and progesterone
International Journal of Pharmaceutics, 1999R Docherty, R C Rowe, R C Rowe
exaly
Fast clustering of equivalent structures in crystal structure prediction
Journal of Computational Chemistry, 1997Bouke P. van Eijck, Jan Kroon
openaire +1 more source
A third blind test of crystal structure prediction
Acta Crystallographica Section B: Structural Science, 2005+2 more
exaly