Simulations of inorganic crystal structures: Recent advances in structure elucidation
- 28 February 2003
- journal article
- Published by Elsevier in Current Opinion in Solid State and Materials Science
- Vol. 7 (1) , 13-19
- https://doi.org/10.1016/s1359-0286(03)00020-2
Abstract
No abstract availableKeywords
This publication has 37 references indexed in Scilit:
- Chemistry−Structure−Simulation or Chemistry−Simulation−Structure Sequences? The Case of MIL-34, a New Porous AluminophosphateJournal of the American Chemical Society, 2001
- Derivation of Interatomic Potentials for Gallophosphates from the GaPO4−Quartz Structure: Transferability Study to Gallosilicates and Zeotype GallophosphatesChemistry of Materials, 2001
- The structures of as-synthesized AlPO4-53(A), calcined dehydrated AlPO4-53(B), and AlPO4-53(C), a new phase determined by the FOCUS methodMicroporous and Mesoporous Materials, 2000
- Combined method forab initiostructure solution from powder diffraction dataJournal of Applied Crystallography, 1999
- Silicon–aluminium distribution in dehydrated calcium heulanditePhysical Chemistry Chemical Physics, 1999
- Aluminum Distribution in Low Si/Al Zeolites: Dehydrated Na−ClinoptiloliteThe Journal of Physical Chemistry B, 1998
- Computational Modeling of the Nonframework Cation Location and Distribution in Microporous Titanosilicate ETS-10The Journal of Physical Chemistry, 1996
- Computational Studies of Aluminum Phosphate PolymorphsChemistry of Materials, 1996
- Simulating non-framework cation location in aluminosilicate zeolitesChemical Communications, 1996
- Computer Simulation Studies of Zeolite StructureMolecular Simulation, 1988