selected publications
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academic article
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Design, synthesis, and time-gated cell imaging of carbon-bridged triangulenium dyes with long fluorescence lifetime and red emission.
Chemical Science.
9.
2018
Heterogeneous nucleation of polymorphs on polymer surfaces: polymer–molecule interactions using a Coulomb and van der Waals model.
Journal of Molecular Modeling.
24.
2018
Heterogeneous nucleation of polymorphs on polymer surfaces: polymer–molecule interactions using a heterogeneous dielectric solvation model.
Journal of Molecular Modeling.
24.
2018
Macrocycle ring deformation as the secondary design principle for light-harvesting complexes.
Proceedings of the National Academy of Sciences of the United States of America.
115.
2018
Quantum Crystallography: Current Developments and Future Perspectives.
Chemistry - A European Journal.
24.
2018
A crystal structure prediction enigma solved: the gallic acid monohydrate system – surprises at 10 K.
Chemical Communications.
53.
2017
Diversity‐Oriented Syntheses by Combining CuAAC and Stereoselective INCIC Reactions with Peptides.
Chemistry - A European Journal.
23.
2017
Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. II. Applications to l-alanine, naphthalene and xylitol.
Acta Crystallographica Section A: Foundations and advances.
73.
2017
Experimental evidence of a 3-centre, 2-electron covalent bond character of the central O–H–O fragment on the Zundel cation in crystals of Zundel nitranilate tetrahydrate.
CrystEngComm.
19.
2017
Implications of X-ray thermal diffuse scattering in integrated Bragg intensities of silicon and cubic boron nitride.
Journal of Applied Crystallography.
50.
2017
Critical behavior of the order-disorder phase transition in β-brass investigated by x-ray scattering.
Physical Review B.
94.
2016
Crystal Structures and Thermodynamic Properties of Polymorphs and Hydrates of Selected 2-Pyridinecarboxaldehyde Hydrazones.
Crystal Growth & Design.
16.
2016
Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. I. Theory.
Acta Crystallographica Section A: Foundations and advances.
72.
2016
The Osteogenic Response was higher in Postmenopausal than in Premenopausal Women Following The Same Exercise Intervention.
Medicine & Science in Sports & Exercise.
48.
2016
Yes, one can obtain better quality structures from routine X-ray data collection.
IUCrJ.
3.
2016
A simple approach to estimate isotropic displacement parameters for hydrogen atoms.
Acta Crystallographica Section A: Foundations and advances.
71.
2015
Bismuth(III)‐Promoted Acetylation of Thioethers into Thioacetates.
European Journal of Organic Chemistry.
2015.
2015
Synthesis of dithiafulvene–quinone donor–acceptor systems: isolation of a Michael adduct.
Acta Crystallographica Section C: Structural Chemistry.
71.
2015
Bromosubstituted Norbornadienes and Their Reversible Photolytic Transformation to Quadricyclanes.
ScienceOpen Research.
2014
Combined Experimental and Computational Studies of Pyrazinamide and Nicotinamide in the Context of Crystal Engineering and Thermodynamics.
Crystal Growth & Design.
14.
2014
Discovery of a cyclic 6 + 6 hexamer of d -biotin and formaldehyde.
Chemical Science.
5.
2014
Polymorph Stability Prediction: On the Importance of Accurate Structures: A Case Study of Pyrazinamide.
Crystal Growth & Design.
14.
2014
SHADE3 server: a streamlined approach to estimate H-atom anisotropic displacement parameters using periodic ab initio calculations or experimental information.
Journal of Applied Crystallography.
47.
2014
Synthesis and Structures of N‐Alkyl‐1,13‐dimethoxychromeno‐ [2,3,4‐kl]acridinium Salts: The Missing Azaoxa[4]helicenium.
Chemistry - A European Journal.
20.
2014
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dataset
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Combined Experimental and Computational Studies of
Pyrazinamide and Nicotinamide in the Context of Crystal Engineering
and Thermodynamics.
american-chemical-society.
2014
Combined Experimental and Computational Studies of
Pyrazinamide and Nicotinamide in the Context of Crystal Engineering
and Thermodynamics.
american-chemical-society.
2014
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Anisotropic displacement parameters for molecular crystals from periodic Hartree–Fock and density functional theory calculations.
Acta Crystallographica Section A: Foundations and advances.
2013
Superarming of glycosyl donors by combined neighboring and conformational effects..
Organic Letters.
2013
Synthesis and fluorescence properties of DMCX+—a stable oxygen-bridged [4]helicenium dye.
Tetrahedron Letters.
2013
Making a Robust Carbon−Cobalt(III) Bond.
american-chemical-society.
2009