SUPERFLIP– a computer program for the solution of crystal structures by charge flipping in arbitrary dimensions

By L. Palatinus, G. Chapuis. 2007

3,394 citations recorded by the source corpus.

Subfields: Materials Chemistry, Physical and Theoretical Chemistry

View Paper: https://www.semanticscholar.org/paper/c86104057d4ff58d9b6bd90c136d0fdd904a5d13

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In Materials Chemistry

1. F. Izumi
2. K. Momma
3. L. Farrugia
4. Trixie Wagner
5. Vaclav Petricek
6. M. Dušek
7. S. Parsons
8. H. Flack

In Physical and Theoretical Chemistry

1. L. Farrugia
2. Trixie Wagner
3. S. Parsons
4. K. Momma
5. F. Izumi
6. H. Flack
7. Vaclav Petricek
8. M. Dušek

Citations in the corpus

• Crystallographic Computing System JANA2006: General features (2014, methodology): “The solution programs usually used with JANA2006 are SUPERFLIP [22] and SIRWARE [23, 24], the former being distributed with JANA2006 installation files.”
• EXPO2013: a kit of tools for phasing crystal structures from powder data (2013, methodology): “The combination of all these factors reduces the chance of success of the phasing procedures, particularly when the traditional two-step procedures are used [e.g. direct and Patterson methods (Giacovazzo, 1998) or charge-flipping approaches (Oszlányi & Süto , 2004; Palatinus & Chapuis, 2007)].”
• EDMA: a computer program for topological analysis of discrete electron densities (2012, methodology): “The more recent versions of EDMA are standalone programs, interfacing with BayMEM, Superflip (a program for structure solution by charge flipping; Palatinus & Chapuis, 2007), WinGX (Farrugia, 1999), Crystals (Betteridge et al., 2003) and JANA2006 (Petřı́ček et al., 2006).”
• The HighScore suite (2014, methodology): “HighScore Plus has included the Superflip algorithm by Palatinus and Chapuis (2007).”
• VESTA: a three-dimensional visualization system for electronic and structural analysis (2008, methodology): “Electron and nuclear densities obtained with various programs including PRIMA (Izumi & Dilanian, 2002), Superflip (Palatinus & Chapuis, 2007), GSAS (Larson & Von Dreele, 2004) and WinGX (Farrugia, 1999) are directly input.”
• WinGX and ORTEP for Windows: an update (2012, methodology): “These include a Windows version of the original SIR92 program (Altomare et al., 1993), the SUPERFLIP program (Palatinus & Chapuis, 2007) and DIRDIF2008 (Beurskens et al., 2008).”
• Symmetry determination following structure solution in P1 (2008, neutral): “…iterative structure-solution method, the data quality is good, and proper steps are undertaken to improve the solution after the convergence (Palatinus & Chapuis, 2007; Oszlányi & Sütö, 2008), then according to our experience sym for the correct symmetry operations is most frequently…”
• Use of intensity quotients and differences in absolute structure refinement (2013, methodology): “Absolute structure refinement in SHELXL2012 Structures were solved using direct methods (SHELXS; Sheldrick, 2008b) or charge flipping (SUPERFLIP; Palatinus & Chapuis, 2007) and refined against |F|2 in SHELXL2012 (beta test version 2012/9) using all data (Sheldrick, 2012).”