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New method to compute Rcomplete enables maximum likelihood refinement for small datasets

Proceedings of the National Academy of Sciences - PNAS, 2015-07, Vol.112 (29), p.8999-9003

2015

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New method to compute R complete enables maximum likelihood refinement for small datasets

Proceedings of the National Academy of Sciences - PNAS, 2015-07, Vol.112 (29), p.8999-9003

2015

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Stepwise Halide-Triggered Double and Triple Catenation of Self-Assembled Coordination Cages

Angewandte Chemie (International ed.), 2015-02, Vol.54 (9), p.2796-2800

International ed. in English, 2015

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New method to computeR completeenables maximum likelihood refinement for small datasets

Proceedings of the National Academy of Sciences - PNAS, 2015-07, Vol.112 (29), p.8999-9003

2015

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Disappearing disorder

CrystEngComm, 2020-11, Vol.22 (43), p.7432-7446

2020

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New method to compute Rcâââââââ enables maximum likelihood refinement for small datasets

Proceedings of the National Academy of Sciences - PNAS, 2015, Vol.112 (29), p.8999-9003

2015

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Triggered Exchange of Anionic for Neutral Guests inside a Cationic Coordination Cage

Journal of the American Chemical Society, 2015-01, Vol.137 (3), p.1060-1063

2015

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Accurate Bond Lengths to Hydrogen Atoms from Single‐Crystal X‐ray Diffraction by Including Estimated Hydrogen ADPs and Comparison to Neutron and QM/MM Benchmarks

Chemistry : a European journal, 2017-04, Vol.23 (19), p.4605-4614

2017

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Aspherical scattering factors for SHELXL – model, implementation and application

Acta crystallographica. Section A, Foundations and advances, 2019-01, Vol.75 (1), p.50-62

2019

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Lugdunomycin, an Angucycline‐Derived Molecule with Unprecedented Chemical Architecture

Angewandte Chemie International Edition, 2019-02, Vol.58 (9), p.2809-2814

International ed. in English, 2019

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An enhanced Hirshfeld test - validating atomic vibrations in crystal structures

Acta crystallographica. Section A, Foundations and advances, 2016-08, Vol.72 (a1), p.s166-s166

2016

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Estimating temperature-dependent anisotropic hydrogen displacements with the invariom database and a new segmented rigid-body analysis program

Journal of applied crystallography, 2015-12, Vol.48 (6), p.1785-1793

2015

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CELLOPT: improved unit‐cell parameters for electron diffraction data of small‐molecule crystals

Journal of applied crystallography, 2022-06, Vol.55 (3), p.647-655

2022

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One-Electron-Mediated Rearrangements of 2,3-Disiladicarbene

Journal of the American Chemical Society, 2014-06, Vol.136 (25), p.8919-8922

2014

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Molecular Electrostatic Potentials from Invariom Point Charges

Chemphyschem, 2016-07, Vol.17 (14), p.2238-2246

2016

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Comparing electrostatic potentials from experiment, point charges and theory

Acta crystallographica. Section A, Foundations and advances, 2015-08, Vol.71 (a1), p.s271-s271

2015

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X and N multi-temperature study on rotational disorder in crystalline N -acetyl-L4-hydroxyproline

Acta crystallographica. Section A, Foundations and advances, 2015-08, Vol.71 (a1), p.s481-s481

2015

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Internal dynamics and guest binding of a sterically overcrowded host

Chemical science (Cambridge), 2016-01, Vol.7 (7), p.4676-4684

2016

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PDB2INS - an interface to SHELXL refinements of macromolecules

Acta crystallographica. Section A, Foundations and advances, 2015-08, Vol.71 (a1), p.s273-s273

2015

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On the temperature dependence of H- U iso in the riding hydrogen model

Acta crystallographica. Section A, Foundations and advances, 2014-07, Vol.70 (4), p.309-316

2014

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Comparison of different strategies for modelling hydrogen atoms in charge density analyses

Acta crystallographica Section B, Structural science, crystal engineering and materials, 2019-06, Vol.75 (3), p.434-441

2019

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A functionalized Ge 3 -compound with a dual character of the central germanium atom

Chemical communications (Cambridge, England), 2014, Vol.50 (23), p.2986-2989

2014

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Successive Photoswitching and Derivatization Effects in Photochromic Dithienylethene‐Based Coordination Cages

ChemPhotoChem, 2019-06, Vol.3 (6), p.378-383

2019

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A functionalized Ge sub(3)-compound with a dual character of the central germanium atom

Chemical communications (Cambridge, England), 2014-02, Vol.50 (23), p.2986-2989

2014

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Xen crystallography - choose your radiation

Acta crystallographica. Section A, Foundations and advances, 2015-08, Vol.71 (a1), p.s44-s44

2015

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New method to compute Rcomplete enables maximum likelihood refinement for small datasets

New method to compute R complete enables maximum likelihood refinement for small datasets

Stepwise Halide-Triggered Double and Triple Catenation of Self-Assembled Coordination Cages

New method to computeR completeenables maximum likelihood refinement for small datasets

Disappearing disorder

New method to compute Rcâââââââ enables maximum likelihood refinement for small datasets

Triggered Exchange of Anionic for Neutral Guests inside a Cationic Coordination Cage

Accurate Bond Lengths to Hydrogen Atoms from Single‐Crystal X‐ray Diffraction by Including Estimated Hydrogen ADPs and Comparison to Neutron and QM/MM Benchmarks

Aspherical scattering factors for SHELXL – model, implementation and application

Lugdunomycin, an Angucycline‐Derived Molecule with Unprecedented Chemical Architecture

An enhanced Hirshfeld test - validating atomic vibrations in crystal structures

Estimating temperature-dependent anisotropic hydrogen displacements with the invariom database and a new segmented rigid-body analysis program

CELLOPT: improved unit‐cell parameters for electron diffraction data of small‐molecule crystals

One-Electron-Mediated Rearrangements of 2,3-Disiladicarbene

Molecular Electrostatic Potentials from Invariom Point Charges

Comparing electrostatic potentials from experiment, point charges and theory

X and N multi-temperature study on rotational disorder in crystalline N -acetyl-L4-hydroxyproline

Internal dynamics and guest binding of a sterically overcrowded host

PDB2INS - an interface to SHELXL refinements of macromolecules

On the temperature dependence of H- U iso in the riding hydrogen model

Comparison of different strategies for modelling hydrogen atoms in charge density analyses

A functionalized Ge 3 -compound with a dual character of the central germanium atom

Successive Photoswitching and Derivatization Effects in Photochromic Dithienylethene‐Based Coordination Cages

A functionalized Ge sub(3)-compound with a dual character of the central germanium atom

Xen crystallography - choose your radiation

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