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Journal of Molecular Structure

Volumn 647, Issue 1-3, 2003, Pages 17-39

Crystal structure prediction by data mining

(2) Hofmann, Detlef W M a Apostolakis, Joannis b

a GOETHE UNIVERSITY (Germany)

b FRAUNHOFER INSTITUTE FOR ALGORITHMS AND SCIENTIFIC COMPUTING SCAI (Germany)

Author keywords

Crystal structure determination; Crystal structure prediction; Data mining; Trained potentials

Indexed keywords

ATOM; CHEMICAL STRUCTURE; CONFERENCE PAPER; CRYSTAL STRUCTURE; CRYSTALLOGRAPHY; DATA ANALYSIS; ENERGY; MATHEMATICAL ANALYSIS; PHYSICAL PARAMETERS; PREDICTION; STRUCTURE ANALYSIS; VALIDATION PROCESS; X RAY POWDER DIFFRACTION;

EID: 0037469589 PISSN: 00222860 EISSN: None Source Type: Journal
DOI: 10.1016/S0022-2860(02)00519-7 Document Type: Conference Paper

Times cited : (64)

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