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Catlow, C. R. A., Cormack, A. N., Théobald, F. (1984) Structure prediction of transition-metal oxides using energy-minimization techniques. Acta Crystallographica Section B Structural Science, 40 (3) 195-200 doi:10.1107/s010876818400197x

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Reference TypeJournal (article/letter/editorial)
TitleStructure prediction of transition-metal oxides using energy-minimization techniques
JournalActa Crystallographica Section B Structural Science
AuthorsCatlow, C. R. A.Author
Cormack, A. N.Author
Théobald, F.Author
Year1984 (June 1)Volume40
Issue3
PublisherInternational Union of Crystallography (IUCr)
DOIdoi:10.1107/s010876818400197xSearch in ResearchGate
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Mindat Ref. ID190755Long-form Identifiermindat:1:5:190755:5
GUID0
Full ReferenceCatlow, C. R. A., Cormack, A. N., Théobald, F. (1984) Structure prediction of transition-metal oxides using energy-minimization techniques. Acta Crystallographica Section B Structural Science, 40 (3) 195-200 doi:10.1107/s010876818400197x
Plain TextCatlow, C. R. A., Cormack, A. N., Théobald, F. (1984) Structure prediction of transition-metal oxides using energy-minimization techniques. Acta Crystallographica Section B Structural Science, 40 (3) 195-200 doi:10.1107/s010876818400197x
In(1984, June) Acta Crystallographica Section B Structural Science Vol. 40 (3) International Union of Crystallography (IUCr)

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Parker, S. C., Catlow, C. R. A., Cormack, A. N. (1984) Structure prediction of silicate minerals using energy-minimization techniques. Acta Crystallographica Section B Structural Science, 40 (3) 200-208 doi:10.1107/s0108768184001981
Catlow, C. R. A., Cormack, A. N., Theobald, F. (1981) Crystal structure prediction by energy minimisation. Acta Crystallographica Section A Foundations of Crystallography, 37. doi:10.1107/s0108767381089666
Catlow, C. N. A., Cormack, A. N., Theobald, F. (1981) Crystal structure prediction by energy minimisation. Acta Crystallographica Section A Foundations of Crystallography, 37. doi:10.1107/s0108767381094816
Gregson, D., Catlow, C. R. A., Chadwick, A. V., Lander, G. H., Cormack, A. N., Fender, B. E. F. (1983) The structure of LaF3 – a single-crystal neutron diffraction study at room temperature. Acta Crystallographica Section B Structural Science, 39 (6) 687-691 doi:10.1107/s0108768183003249
Collins, D. R., Catlow, C. R. A. (1991) Energy-minimized hydrogen-atom positions of kaolinite. Acta Crystallographica Section B Structural Science, 47 (5) 678-682 doi:10.1107/s010876819100561x
Cormack, A. M., Catlow, C. R. A., Tasker, P. W. (1981) The energetics of formation and ordering of crystallographic shear planes in ReO3structured oxides. Acta Crystallographica Section A Foundations of Crystallography, 37. doi:10.1107/s0108767381088946
Laarif, A., Théobald, F., Birouk, M., Robert, J. F. (1984) Structure du (nitro-2 phényl)-3 phényl-5 dihydro-3,4 2H-pyrroledicarboxylate-2,2 de diéthyle, C22H22N2O6. Acta Crystallographica Section C Crystal Structure Communications, 40 (6) 1008-1011 doi:10.1107/s0108270184006594
Larsen, F. K., Hansen, N. K. (1984) Diffraction study of the electron density distribution in beryllium metal. Acta Crystallographica Section B Structural Science, 40 (3) 169-179 doi:10.1107/s0108768184001932
Hingerty, B. E. (1984) Energy minimization on a CRAY-1: use of a vector mainframe. Acta Crystallographica Section A Foundations of Crystallography, 40. doi:10.1107/s0108767384087134
Cormack, A. N., Catlow, C. R. A., Freeman, C. M. (1987) The formation and ordering of crystallographic shear planes in non-stoichiometric TiO2−x. Acta Crystallographica Section A Foundations of Crystallography, 43. doi:10.1107/s0108767387083624
Urusov, V. S., Obolenskiy, O. V., Eremin, N. N. (2000) Computer modeling of structure and properties of Mn-oxides using atomization energy minimization. Acta Crystallographica Section A Foundations of Crystallography, 56. doi:10.1107/s0108767300027707
 
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