2015-08-21
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Публикации результатов, полученных с помощью TOPAS:
· Общее использование TOPAS
Bruker AXS (2008): TOPAS V4: General profile and structure analysis software for powder diffraction data. - User's Manual, Bruker AXS, Karlsruhe, Germany.
· Подбор профиля методом свертки / фундаментальных параметров
Cheary, R.W. & Coelho, A.A. (1992): A fundamental parameters approach to X-ray line-profile fitting. - J. Appl. Cryst., 25, 109-121.
Cheary, R.W., Coelho, A.A. & Cline, J.P. (2004): Fundamental Parameters Line Profile Fitting in Laboratory Diffractometers. - J. Res. Natl. Inst. Stand. Technol., 109, 1-25.
Kern, A., Coelho, A.A. & Cheary, R.W. (2004): Convolution based profile fitting. - Diffraction Analysis of the Microstructure of Materials, edited by Mittemeijer, E.J. & Scardi, P. Materials Science, Springer, ISBN 3-540-40510-4, 17 - 50.
· Индицирование
Coelho, A.A. (2003): Indexing of powder diffraction patterns by iterative use of singular value decomposition. - J. Appl. Cryst., 36, 86-95.
Coelho, A.A. & Kern, A. (2005): Discussion of the indexing algorithms within TOPAS. - CPD Newsletter, 32, 43-45.
· Определение структуры
Coelho, A.A. (2000): Whole Profile Structure Solution from Powder Diffraction Data using Simulated Annealing. - J. Appl. Cryst., 33, 899-908.
Coelho, A.A. (2007): A charge-flipping algorithm incorporating the tangent formula for solving difficult structures. - Acta Cryst., A36, 400-406.
