Prediction of the Unknown Crystal Structure of Creatine Using Fully Quantum Mechanical Methods
- 16 November 2011
- journal article
- research article
- Published by American Chemical Society (ACS) in Crystal Growth & Design
- Vol. 11 (12), 5733-5740
- https://doi.org/10.1021/cg2013599
Abstract
No abstract availableKeywords
This publication has 54 references indexed in Scilit:
- How Evolutionary Crystal Structure Prediction Works—and WhyAccounts of Chemical Research, 2011
- Experimental verification of a subtle low-temperature phase transition suggested by DFT-D energy minimisationCrystEngComm, 2011
- L-AsparagineActa Crystallographica Section E Structure Reports Online, 2007
- Effect of tablet geometrical structure on the dehydration of creatine monohydrate tablets, and their pharmaceutical propertiesAAPS PharmSciTech, 2005
- Accurate description of van der Waals complexes by density functional theory including empirical correctionsJournal of Computational Chemistry, 2004
- Predictions of Crystal Packings for Uracil, 6-Azauracil, and Allopurinol: The Interplay between Hydrogen Bonding and Close PackingThe Journal of Physical Chemistry A, 1997
- DL-GlutamineActa Crystallographica Section C Crystal Structure Communications, 1996
- Totally ab Initio Prediction of the Structures of CO2 Molecular CrystalChemistry Letters, 1995
- Special points for Brillouin-zone integrationsPhysical Review B, 1976
- The Crystal Structure of Ls-Threonine1Journal of the American Chemical Society, 1950