Results 261 to 270 of about 106,304 (285)

Crystal Structure Prediction Methods for Organic Molecules: State of the Art

Annual Review of Chemical and Biomolecular Engineering, 2021
David H Bowskill, Isaac J Sugden, Stefanos Konstantinopoulos   +2 more
exaly  

Predicting crystal structures

Physics, 2009
openaire   +1 more source

Crystal structure prediction with machine learning-based element substitution

Computational Materials Science, 2022
Minoru Kusaba, Ryo Yoshida
exaly  

Are Crystal Structures Predictable?

Accounts of Chemical Research, 1994
openaire   +1 more source

Unmasking a Third Polymorph of a Benchmark Crystal‐Structure‐Prediction Compound

Angewandte Chemie - International Edition, 2009
Saikat Roy, Adam J Matzger
exaly  

Crystal structure prediction of small organic molecules: a second blind test

Acta Crystallographica Section B: Structural Science, 2002
W D Samuel Motherwell, Herman L Ammon, Jack D Dunitz   +2 more
exaly  

Molecule VI, a Benchmark Crystal‐Structure‐Prediction Sulfonimide: Are Its Polymorphs Predictable?

Angewandte Chemie - International Edition, 2011
John Kendrick, Frank J J Leusen
exaly  

XtalOpt version r7: An open-source evolutionary algorithm for crystal structure prediction

Computer Physics Communications, 2011
Eva Žurek
exaly  

Crystal structure prediction by data mining

Journal of Molecular Structure, 2003
Detlef W M Hofmann, Joannis Apostolakis
exaly  

Examples of successful crystal structure prediction: polymorphs of primidone and progesterone

International Journal of Pharmaceutics, 1999
R C Rowe, R Docherty
exaly