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Palatinus, Lukáš, Prathapa, Siriyara Jagannatha, van Smaalen, Sander (2012) EDMA: a computer program for topological analysis of discrete electron densities. Journal of Applied Crystallography, 45 (3). 575-580 doi:10.1107/s0021889812016068

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Reference TypeJournal (article/letter/editorial)
TitleEDMA: a computer program for topological analysis of discrete electron densities
JournalJournal of Applied Crystallography
AuthorsPalatinus, LukášAuthor
Prathapa, Siriyara JagannathaAuthor
van Smaalen, SanderAuthor
Year2012 (June 1)Volume45
Issue3
PublisherInternational Union of Crystallography (IUCr)
DOIdoi:10.1107/s0021889812016068Search in ResearchGate
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Mindat Ref. ID4671969Long-form Identifiermindat:1:5:4671969:6
GUID0
Full ReferencePalatinus, Lukáš, Prathapa, Siriyara Jagannatha, van Smaalen, Sander (2012) EDMA: a computer program for topological analysis of discrete electron densities. Journal of Applied Crystallography, 45 (3). 575-580 doi:10.1107/s0021889812016068
Plain TextPalatinus, Lukáš, Prathapa, Siriyara Jagannatha, van Smaalen, Sander (2012) EDMA: a computer program for topological analysis of discrete electron densities. Journal of Applied Crystallography, 45 (3). 575-580 doi:10.1107/s0021889812016068
In(2012, June) Journal of Applied Crystallography Vol. 45 (3) International Union of Crystallography (IUCr)

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Jagannatha, Prathapa Siriyara, van Smaalen, Sander, Palatinus, Lukas (2010) Topological properties of gridded charge densities. Acta Crystallographica Section A Foundations of Crystallography, 66. doi:10.1107/s0108767310093402
Mondal, Swastik, Prathapa, Siriyara Jagannatha, van Smaalen, Sander (2012) Experimental dynamic electron densities of multipole models at different temperatures. Acta Crystallographica Section A Foundations of Crystallography, 68 (5). 568-581 doi:10.1107/s0108767312029005
Jagannatha Prathapa, Siriyara, Held, Jeanette, van Smaalen, Sander (2013) Topological Properties of Chemical Bonds from Static and Dynamic Electron Densities. Zeitschrift für anorganische und allgemeine Chemie, 639. 2047-2056 doi:10.1002/zaac.201200535
Prathapa, Siriyara Jagannatha, Mondal, Swastik, van Smaalen, Sander (2013) Electron densities by the maximum entropy method (MEM) for various types of prior densities: a case study on three amino acids and a tripeptide. Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 69 (2). 203-213 doi:10.1107/s2052519213004879
Prathapa, Siriyara Jagannatha, Mondal, Swastik, van Smaalen, Sander (2013) Electron densities by the maximum entropy method (MEM) for various types of prior densities: a case study on three amino acids and a tripeptide. Acta Crystallographica Section B Structural Science Crystal Engineering and Materials, 69 (2) 203-213 doi:10.1107/s0108768113004874
Palatinus, Lukáš, van Smaalen, Sander (2005) The prior-derivedFconstraints in the maximum-entropy method. Acta Crystallographica Section A Foundations of Crystallography, 61 (3). 363-372 doi:10.1107/s0108767305009918
van Smaalen, Sander, Palatinus, Lukáš, Schneider, Martin (2003) The maximum-entropy method in superspace. Acta Crystallographica Section A Foundations of Crystallography, 59 (5). 459-469 doi:10.1107/s010876730301434x
Ali, Sk Imran, Mondal, Swastik, Prathapa, Siriyara Jagannatha, van Smaalen, Sander, Zörb, Steffen, Harbrecht, Bernd (2012) Self-Intercalation and Vacancy-Ordering in 6R-CuxTa1+yS2(x≈ 0.23,y= 0, 0.06). Zeitschrift für anorganische und allgemeine Chemie, 638. 2625-2631 doi:10.1002/zaac.201200314
Dey, Somnath, Schönleber, Andreas, Mondal, Swastik, Prathapa, Siriyara Jagannatha, van Smaalen, Sander, Larsen, Finn Krebs (2016) TheZ′ = 12 superstructure of Λ-cobalt(III) sepulchrate trinitrate governed by C—H..O hydrogen bonds. Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 72 (3). 372-380 doi:10.1107/s2052520616005503
Mondal, Swastik, van Smaalen, Sander, Parakhonskiy, Gleb, Prathapa, Siriyara Jagannatha, Noohinejad, Leila, Bykova, Elena, Dubrovinskaia, Natalia, Chernyshov, Dmitry, Dubrovinsky, Leonid (2013) Experimental evidence of orbital order inα-B12andγ-B28polymorphs of elemental boron. Physical Review B, 88 (2) doi:10.1103/physrevb.88.024118
Palatinus, Lukáš, van Smaalen, Sander (2002) The generalizedFconstraint in the maximum-entropy method – a study on simulated data. Acta Crystallographica Section A Foundations of Crystallography, 58 (6). 559-567 doi:10.1107/s0108767302015556
 
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