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Crystal structure prediction
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#	Item
1 $Crystallography / Powder diffraction / Electron diffraction / Crystal structure prediction / Chemistry / Science / Diffraction$	Frontiers between crystal structure prediction and determination by powder diffractometry Armel Le Bail Laboratoire des Oxydes et Fluorures, CNRS UMR 6010, Université du Maine, avenue O. Messiaen, 72085 Le Mans Cedex 9, Add to Reading List Source URL: sdpd.univ-lemans.fr Language: English - Date: 2008-06-16 01:58:36 Crystallography Powder diffraction Electron diffraction Crystal structure prediction Chemistry Science Diffraction
2	Ab initio computational methods for the prediction of stability, structure and properties of minerals at high pressure and high temperature conditions Mauro Prencipe Dip. Scienze Mineralogiche e Petrologiche – Universi Add to Reading List Source URL: speakerd.s3.amazonaws.com Language: English - Date: 2014-06-04 10:41:22 Science Quantum mechanics Computational chemistry Theoretical chemistry Molecular Hamiltonian Born–Oppenheimer approximation Density functional theory Schrödinger equation Crystal Chemistry Physics Quantum chemistry
3	Advances in Structure Prediction of Inorganic Compounds Armel Le Bail - Université du Maine, Laboratoire des oxydes et Fluorures, CNRS UMR 6010, Avenue O. Messiaen, 72085 Le Mans Cedex 9, France. Email : [removed] Add to Reading List Source URL: sdpd.univ-lemans.fr Language: English - Date: 2004-12-06 04:07:12 Mineralogy Hypothetical zeolite Pyrochlore Cubic crystal system Perovskite Crystal structure Chemical bond Chemistry Crystallography Zeolites
4	Crystal structures from the Plasmodium peroxiredoxins: new insights into oligomerization and product binding Add to Reading List Source URL: www.ncbi.nlm.nih.gov Language: English Homology modeling CASP Protein structure prediction MULTICOM Sequence alignment Global distance test Multiple sequence alignment Bioinformatics Science Biology
5	School of Chemistry, University of Bristol. Level II Scientific Report Template[removed]Library Project – Part 2 (Questions 1 & 2) Add to Reading List Source URL: www.benjamin-mills.com Language: English - Date: 2009-06-05 06:37:58 Materials science Solid-state chemistry Chemical engineering Mineralogy Crystal structure prediction Crystal engineering Crystallographic database Crystallization Gautam Radhakrishna Desiraju Chemistry Science Crystallography

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