J. van de Streek

发表

Mechanistic insights into a gas-solid reaction in molecular crystals: the role of hydrogen bonding.

K. Shankland, L. Brammer, G. Mínguez Espallargas, 2010, Angewandte Chemie.

Dimorphism of the prodrug L-tyrosine ethyl ester: pressure-temperature state diagram and crystal structure of phase II.

R. Céolin, B. Do, M. Barrio, 2011, Journal of pharmaceutical sciences.

Co-Crystal Structures of Furosemide:Urea and Carbamazepine:Indomethacin Determined from Powder X-Ray Diffraction Data

Mark J. Spillman, K. Shankland, Okba Al Rahal, 2020, Crystals.

Computational polymorph screening reveals late-appearing and poorly-soluble form of rotigotine

A. Tkatchenko, Johannes Hoja, M. Neumann, 2019, Communications Chemistry.

A jumping crystal predicted with molecular dynamics and analysed with TLS refinement against powder diffraction data

S. Parsons, E. Alig, J. van de Streek, 2019, IUCrJ.

How many ritonavir cases are there still out there?

M. Neumann, J. van de Streek, 2018, Faraday discussions.

Ligand flexibility and framework rearrangement in a new family of porous metal-organic frameworks.

L. Brammer, G. M. Espallargas, M. Rosseinsky, 2007, Chemical communications.

Searching the Cambridge Structural Database for the 'best' representative of each unique polymorph.

J. van de Streek, 2006, Acta crystallographica. Section B, Structural science.

Validation of missed space-group symmetry in X-ray powder diffraction structures with dispersion-corrected density functional theory.

M. Schmidt, J. van de Streek, Daniela Hempler, 2017, Acta crystallographica Section B, Structural science, crystal engineering and materials.

Searching the Cambridge Structural Database for polymorphs.

S. Motherwell, J. van de Streek, 2005, Acta crystallographica. Section B, Structural science.

Combined crystal structure prediction and high-pressure crystallization in rational pharmaceutical polymorph screening

O. Grassmann, M. Neumann, O. Grassmann, 2015, Nature Communications.

Reversible extrusion and uptake of HCl molecules by crystalline solids involving coordination bond cleavage and formation.

K. Shankland, L. Brammer, H. Adams, 2006, Journal of the American Chemical Society.

Towards crystal structure prediction of complex organic compounds – a report on the fifth blind test

Claire S. Adjiman, Julio C. Facelli, Constantinos C. Pantelides, 2011, Acta crystallographica. Section B, Structural science.

Ab-initio crystal structure analysis and refinement approaches of oligo p-benzamides based on electron diffraction data.

Andreas F. M. Kilbinger, U. Kolb, G. Brunklaus, 2012, Acta crystallographica. Section B, Structural science.

Rational modification of the hierarchy of intermolecular interactions in molecular crystal structures by using tunable halogen bonds.

K. Shankland, L. Brammer, H. Adams, 2009, Chemistry.

Inconvenient Truths about Solid Form Landscapes Revealed in the Polymorphs and Hydrates of Gandotinib

J. McMahon, M. Neumann, R. Bhardwaj, 2019, Crystal Growth & Design.

The thermodynamically stable form of solid barbituric acid: the enol tautomer.

D. Braga, R. Gobetto, P. Mörschel, 2011, Angewandte Chemie.

High energy shock waves induced increase in the local concentration of systemically given TNF-alpha.

J. Schalken, F. Debruyne, E. Oosterwijk, 1994, The Journal of urology.

On the correlation between hydrogen bonding and melting points in the inositols

M. Schmidt, E. Alig, J. van de Streek, 2013, IUCrJ.

Validation of molecular crystal structures from powder diffraction data with dispersion-corrected density functional theory (DFT-D)

M. Neumann, J. van de Streek, 2014, Acta crystallographica Section B, Structural science, crystal engineering and materials.

The application of tailor-made force fields and molecular dynamics for NMR crystallography: a case study of free base cocaine

Xiaozhou Li, M. Neumann, J. van de Streek, 2016, IUCrJ.

Significant progress in predicting the crystal structures of small organic molecules--a report on the fourth blind test.

Tejender S. Thakur, Bernd Schweizer, Elisabetta Venuti, 2009, Acta crystallographica. Section B, Structural science.

Reversible gas uptake by a nonporous crystalline solid involving multiple changes in covalent bonding.

K. Shankland, W. David, L. Brammer, 2007, Journal of the American Chemical Society.

Crystal structure analysis of a star-shaped triazine compound: a combination of single-crystal three-dimensional electron diffraction and powder X-ray diffraction.

T. Opatz, T. Gorelik, H. Meier, 2018, Acta crystallographica Section B, Structural science, crystal engineering and materials.

Structures of six industrial benzimidazolone pigments from laboratory powder diffraction data.

M. Schmidt, S. N. Ivashevskaya, M. Bolte, 2009, Acta Crystallographica Section B Structural Science.

The first crystal structures of industrial laked yellow pigments determined by X-ray powder diffraction.

M. Schmidt, S. N. Ivashevskaya, J. van de Streek, 2009, Chemistry.

Progress in crystal structure prediction.

F. Leusen, J. Kendrick, M. Neumann, 2011, Chemistry.

The use of dispersion-corrected DFT calculations to prevent an incorrect structure determination from powder data: the case of acetolone, C11H11N3O3

M. Schmidt, E. Alig, J. van de Streek, 2011 .

Crystallographic and Dynamic Aspects of Solid‐State NMR Calibration Compounds: Towards ab Initio NMR Crystallography

Xiaozhou Li, M. Bolte, J. van de Streek, 2016, Chemphyschem : a European journal of chemical physics and physical chemistry.

Validation of experimental molecular crystal structures with dispersion-corrected density functional theory calculations

Marcus A. Neumann, Jacco van de Streek, M. Neumann, 2010, Acta crystallographica. Section B, Structural science.

Local structure in the disordered solid solution of cis- and trans-perinones.

K. E. Johansson, Jaroslav L Teteruk, M. Schmidt, 2016, Acta crystallographica Section B, Structural science, crystal engineering and materials.

Electron diffraction, X-ray powder diffraction and pair-distribution-function analyses to determine the crystal structures of Pigment Yellow 213, C23H21N5O9.

U. Kolb, M. Schmidt, F. Gozzo, 2009, Acta crystallographica. Section B, Structural science.

Crystal structures of two phases of Pigment Yellow 110 from X-ray powder diffraction data

M. Schmidt, S. N. Ivashevskaya, J. van de Streek, 2023, Zeitschrift für Kristallographie - Crystalline Materials.

The crystal structure of Pigment Yellow 181 from laboratory powder diffraction data

Elna Pidcock, E. Pidcock, M. Schmidt, 2007 .

Structure determination of seven phases and solvates of Pigment Yellow 183 and Pigment Yellow 191 from X-ray powder and single-crystal data.

P. Erk, M. Schmidt, E. Alig, 2009, Acta crystallographica. Section B, Structural science.

Distinguishing tautomerism in the crystal structure of (Z)-N-(5-ethyl-2,3-dihydro-1,3,4-thiadiazol-2-ylidene)-4-methylbenzenesulfonamide using DFT-D calculations and 13C solid-state NMR

K. E. Johansson, A. Bond, Xiaozhou Li, 2014, Acta crystallographica. Section C, Structural chemistry.

Structure determinations of three fluorescent organic pigments by powder diffraction and micro-crystal structure analysis

A. Meents, M. Schmidt, E. Alig, 2009 .

One hydrogen bond does not a separation make, or does it? Resolution of amines by diacetoneketogulonic acid.

L. Nassimbeni, J. van de Streek, N. Báthori, 2015, Chemical Communications.

Crystal structure and morphology of the bright orange γ-phase of Pigment Red 53:2 from XRPD, DFT+D and TEM

M. Schmidt, T. Gorelik, J. van de Streek, 2021 .

X-ray powder diffraction, solid-state NMR and dispersion-corrected DFT calculations to investigate the solid state structure of 2-ammonio-5-chloro-4-methylbenzenesulfonate

M. Schmidt, C. Glaubitz, E. Alig, 2010 .

Crystal structure from laboratory X-ray powder diffraction data, DFT-D calculations, and Hirshfeld surface analysis of (S)-dapoxetine hydrochloride

J. Henao, R. Toro, J. M. Delgado, 2022, Powder Diffraction.

Crystal structure from laboratory X-ray powder diffraction data, DFT-D calculations, Hirshfeld surface analysis, and energy frameworks of a new polymorph of 1-benzothiophene-2-carboxylic acid

J. M. Delgado, Analio J. Dugarte-Dugarte, G. C. Diaz de Delgado, 2021, Powder Diffraction.

Crystal structure from X-ray powder diffraction data, DFT-D calculation, Hirshfeld surface analysis, and energy frameworks of (RS)-trichlormethiazide

J. Henao, R. Toro, J. M. Delgado, 2022, Acta crystallographica. Section E, Crystallographic communications.

Structures of cefradine dihydrate and cefaclor dihydrate from DFT-D calculations.

J. Rantanen, A. Bond, J. van de Streek, 2013, Acta crystallographica. Section C, Crystal structure communications.

Significant progress in predicting the crystal structures of small organic molecules--a report on the fourth blind test.

Tejender S. Thakur, Jeffrey S. Tan, H. Scheraga, 2009, Acta crystallographica. Section B, Structural science.

DASH: a program for crystal structure determination from powder diffraction data

Jason C. Cole, Elna Pidcock, William I. F. David, 2006 .

Ab-initio crystal structure analysis and refinement approaches of oligo p-benzamides based on electron diffraction data.

Andreas F. M. Kilbinger, U. Kolb, G. Brunklaus, 2012, Acta crystallographica. Section B, Structural science.

Dimorphism of the prodrug L-tyrosine ethyl ester: pressure-temperature state diagram and crystal structure of phase II.

R. Céolin, B. Do, M. Barrio, 2011, Journal of pharmaceutical sciences.

On the influence of thermal motion on the crystal structures and polymorphism of even n-alkanes.

P. Bennema, P. Verwer, E. Vlieg, 2002, Acta Crystallographica Section B Structural Science.

Achieving Polymorphic and Stoichiometric Diversity in Cocrystal Formation: Importance of Solid-State Grinding, Powder X-ray Structure Determination, and Seeding

William Jones, Andrew V. Trask, Jacco van de Streek, 2005 .

H-bonding schemes of di- and tri-p-benzamides assessed by a combination of electron diffraction, X-ray powder diffraction and solid-state NMR

Andreas F. M. Kilbinger, J. V. D. Streek, U. Kolb, 2010 .

Predicting crystal form stability under real-world conditions

D. Firaha, O. Putra, S. Reutzel-Edens, 2023, Nature.