IUCrJ

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Number of items: 11.

2023

Adams, Donat J; Churakov, Sergey V (2023). Classification of perovskite structural types with dynamical octahedral tilting. IUCrJ, 10(Pt 3), pp. 309-320. International Union of Crystallography 10.1107/S2052252523002208

2022

Pawlędzio, Sylwia; Malinska, Maura; Kleemiss, Florian; Grabowsky, Simon; Woźniak, Krzysztof (2022). Influence of modelling disorder on Hirshfeld atom refinement results of an organo-gold(I) compound. IUCrJ, 9(Pt 4), pp. 497-507. International Union of Crystallography 10.1107/S2052252522005309

2021

Pawlędzio, Sylwia; Malinska, Maura; Woińska, Magdalena; Wojciechowski, Jakub; Malaspina, Lorraine Andrade; Kleemiss, Florian; Grabowsky, Simon; Woźniak, Krzysztof (2021). Relativistic Hirshfeld atom refinement of an organo-gold(I) compound. IUCrJ, 8(4), pp. 608-620. International Union of Crystallography 10.1107/S2052252521004541

2020

Sanjuan-Szklarz, W. Fabiola; Woińska, Magdalena; Domagała, Sławomir; Dominiak, Paulina M.; Grabowsky, Simon; Jayatilaka, Dylan; Gutmann, Matthias; Woźniak, Krzysztof (2020). On the accuracy and precision of X-ray and neutron diffraction results as a function of resolution and the electron density model. IUCrJ, 7(5), pp. 920-933. International Union of Crystallography 10.1107/S2052252520010441

2018

Fugel, Malte; Jayatilaka, Dylan; Hupf, Emanuel; Overgaard, Jacob; Hathwar, Venkatesha R.; Macchi, Piero; Turner, Michael J.; Howard, Judith A. K.; Dolomanov, Oleg V.; Puschmann, Horst; Iversen, Bo B.; Bürgi, Hans-Beat; Grabowsky, Simon (2018). Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2. IUCrJ, 5(1), pp. 32-44. International Union of Crystallography 10.1107/S2052252517015548

Bürgi, Hans-Beat; Macchi, Piero (2018). Comments on `Hydrogen bonds in crystalline D -alanine: diffraction and spectroscopic evidence for differences between enantiomers'. IUCrJ, 5(5), pp. 654-657. International Union of Crystallography 10.1107/S2052252518007406

2017

Genoni, Alessandro; Rezende dos Santos, Leonardo Humberto; Meyer, Benjamin; Macchi, Piero (2017). Can X-ray constrained Hartree–Fock wavefunctions retrieve electron correlation? IUCrJ, 4(2), pp. 136-146. International Union of Crystallography 10.1107/S2052252516019217

Hulliger, Jürg; Burgener, Matthias; Hesterberg, Rolf; Sommer, Martin; Brahimi, Khadidja; Aboulfadl, Hanane (2017). Stochastic polarity formation in molecular crystals, composite materials and natural tissues. IUCrJ, 4(4), pp. 360-368. International Union of Crystallography 10.1107/S205225251700700X

2016

Burgener, Matthias; Oulevey, Hanane; Labat, Gaël Charles; Bonin, Michel; Sommer, Martin; Sankolli, Ravish; Wübbenhorst, Michael; Hulliger, Jürg (2016). Peculiar orientational disorder in 4-bromo-4′-nitrobiphenyl (BNBP) and 4-bromo-4′-cyanobiphenyl (BCNBP) leading to bipolar crystals. IUCrJ, 3(3), pp. 219-225. International Union of Crystallography 10.1107/S2052252516006709

2015

Macchi, Piero; Gillet, Jean-Michel; Taulelle, Francis; Campo, Javier; Claiser, Nicolas; Lecomte, Claude (2015). Modelling the experimental electron density: only the synergy of various approaches can tackle the new challenges. IUCrJ, 2(4), pp. 441-451. International Union of Crystallography 10.1107/S2052252515007538

2014

Capelli, Silvia C.; Bürgi, Hans-Beat; Dittrich, Birger; Grabowsky, Simon; Jayatilaka, Dylan (2014). Hirshfeld atom refinement. IUCrJ, 1(5), pp. 361-379. International Union of Crystallography 10.1107/S2052252514014845

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