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Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|December 3, 2014
Validation of molecular crystal structures from powder diffraction data with dispersion-corrected density functional theory (DFT-D)Jacco van de Streek, Marcus A NeumannActa Crystallographica. Section B, Structural Science|September 16, 2010
Validation of experimental molecular crystal structures with dispersion-corrected density functional theory calculationsJacco van de Streek, Marcus A NeumannFaraday Discussions|July 27, 2018
How many ritonavir cases are there still out there?Marcus A Neumann, Jacco van de StreekIucrj|March 3, 2017
The application of tailor-made force fields and molecular dynamics for NMR crystallography: a case study of free base cocaineXiaozhou Li, Marcus A Neumann, Jacco van de StreekChemistry (Weinheim an Der Bergstrasse, Germany)|October 18, 2011
Progress in crystal structure predictionJohn Kendrick, Frank J J Leusen, Marcus A Neumann, et al.Acta Crystallographica. Section B, Structural Science|July 15, 2006
Searching the Cambridge Structural Database for the 'best' representative of each unique polymorphJacco van de StreekActa Crystallographica Section B, Structural Science, Crystal Engineering and Materials|February 4, 2015
Structure of Pigment Yellow 181 dimethylsulfoxide N-methyl-2-pyrrolidone (1:1:1) solvate from XRPD + DFT-DJacco van de StreekActa Crystallographica. Section C, Crystal Structure Communications|September 1, 2012
Reinterpretation of the monohydrate of clarithromycin from X-ray powder diffraction data as a trihydrateJacco van de StreekActa Crystallographica. Section B, Structural Science|September 28, 2005
Searching the Cambridge Structural Database for polymorphsJacco van de Streek, Sam MotherwellActa Crystallographica. Section C, Structural Chemistry|July 8, 2026
Best practices in `0 K' DFT energy calculations on molecular crystal structuresJacco van de Streek, Erin R JohnsonPageof 6