Charge Flipping at Work: A Case of Pseudosymmetry.
The article presents information on an application of the new ab initio charge flipping algorithm (CF) for structural chemists. The method can be used for the treatment of translational pseudometry. The CF algorithm worked on experimental data of both periodic and aperiodic crystals. The first ab in...
| Publicado en: | Journal of the American Chemical Society Vol. 128; no. 26; pp. 8392 - 8394 |
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| Autores principales: | , , , |
| Formato: | Artículo |
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American Chemical Society
7/5/2006
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| Materias: | |
| Acceso en línea: | Ver este registro en EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=hlh&AN=21525754&site=ehost-live header: @attributes: shortDbName: hlh uiTerm: 21525754 longDbName: Humanities International Complete uiTag: AN controlInfo: bkinfo: jinfo: jid: 00027863 ACS jtl: Journal of the American Chemical Society issn: 00027863 maglogo: N pubinfo: dt: 7/5/2006 vid: 128 iid: 26 pid: 997 pub: American Chemical Society artinfo: ui: 21525754 10.1021/ja062131r ppf: 8392 ppct: 2 formats: tig: atl: Charge Flipping at Work: A Case of Pseudosymmetry. aug: au: Oszlányi, Gábor Sütö, András Czugler, Mátyás Párkányi, Lászió affil: Research Institute for Solid State Physics and Optics, H-1525 Budapest POB. 49, Hungary. Research Institute of Structural Chemistry, Chemical Research Center, H-1525 Budapest POB. 17, Hungary. su: Algorithms Chemical research Chemists Optics Atoms Crystals Optical diffraction sug: subj: Algorithms Chemical research Chemists Optics Atoms Crystals Optical diffraction ab: The article presents information on an application of the new ab initio charge flipping algorithm (CF) for structural chemists. The method can be used for the treatment of translational pseudometry. The CF algorithm worked on experimental data of both periodic and aperiodic crystals. The first ab initio, dual space method emerged from optics where the Gerchberg-Saxton-Fienup algorithm (GSF) is the standard phase retrieval tool for nonperiodic objects. It outlines several advantages of using the CF algorithm. No information on atom types, chemical composition, or the space group symmetry is required. pubtype: Academic Journal doctype: Article src: R language: English refInfo: copyright: @attributes: flag: Y dt: @attributes: year: 2006 holdings: @attributes: islocal: N |
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