Definition of a `guiding function' in global optimization: a hybrid approach combining energy and R-factor in structure solution from powder diffraction data
- 4 February 2000
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 317 (3-5) , 296-303
- https://doi.org/10.1016/s0009-2614(99)01366-4
Abstract
No abstract availableKeywords
This publication has 27 references indexed in Scilit:
- The prediction of inorganic crystal structures using a genetic algorithm and energy minimisationPhysical Chemistry Chemical Physics, 1999
- A synchrotron X-ray powder diffraction study of 4-(2,3,4-trifluorophenyl)-1,2,3,5-dithiadiazolyl. Crystal structure determination using a global optimisation methodNew Journal of Chemistry, 1999
- The Crystal Packing of Organic Molecules: Challenge and Fascination Below 1000 DaCrystallography Reviews, 1998
- Crystal Structure Solution from Powder Diffraction Data by the Monte Carlo MethodMaterials Science Forum, 1998
- Application of X-ray Powder Diffraction Techniques to the Solution of Unknown Crystal StructuresAccounts of Chemical Research, 1997
- Computationally Assisted Structure Determination for Molecular Materials from X-ray Powder Diffraction DataThe Journal of Physical Chemistry B, 1997
- Ab initio solution of a complex crystal structure from powder-diffraction data using simulated-annealing method and a high degree of molecular flexibilityPhysical Review B, 1997
- Structure Determination of a Complex Organic Solid from X‐Ray Powder Diffraction Data by a Generalized Monte Carlo Method: The Crystal Structure of Red FluoresceinAngewandte Chemie International Edition in English, 1997
- Solid State Lithium Cyanocobaltates with a High Capacity for Reversible Dioxygen Binding: Synthesis, Reactivity, and StructuresJournal of the American Chemical Society, 1995
- A short hydrogen bond between near identical carboxyl groups in the α-modification of L-glutamic acidActa Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 1980