List of works - Jacco van de Streek

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

scientific article published on 01 January 2019

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

scientific article

Amodiaquinium dichloride dihydrate from laboratory powder diffraction data

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

scholarly article

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

scientific article

Complementing high-throughput X-ray powder diffraction data with quantum-chemical calculations: Application to piroxicam form III.

scientific article

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

scientific article published on 18 May 2018

Crystal structure and tautomerism of Pigment Yellow 138 determined by X-ray powder diffraction and solid-state NMR

article by Silke D. Gumbert et al published August 2016 in Dyes and Pigments

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

scientific article (publication date: 18 August 2016)

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

article

Different structural destinations: comparing reactions of [CuBr2(3-Brpy)2] crystals with HBr and HCl gas

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

scientific article published on 22 June 2011

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 (13)C solid-state NMR.

scientific article

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

article by Martin U Schmidt et al published April 2009 in Acta Crystallographica Section B: Structural Science

GDASH: a grid-enabled program for structure solution from powder diffraction data

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

article published in 2010

How many ritonavir cases are there still out there?

scientific article published on 01 October 2018

Knowledge-based approaches to crystal design

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

scientific article

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

scientific article published on 26 May 2016

MDASH: a multi-core-enabled program for structure solution from powder diffraction data

article published in 2009

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

scientific article published on November 2010

Mercury CSD 2.0– new features for the visualization and investigation of crystal structures

scholarly article by Clare F. Macrae et al published 8 March 2008 in Journal of Applied Crystallography

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

scientific article published on 18 October 2013

On the high-temperature phase of barbituric acid

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

scientific article published on 30 July 2002

On the irrelevance of electrostatics for the crystal structures and polymorphism of long even n-alkanes

scientific article published on 01 February 2002

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

scientific article

Polymorphism of Scyllo-Inositol: Joining Crystal Structure Prediction with Experiment to Elucidate the Structures of Two Polymorphs

Progress in crystal structure prediction

scientific article published in September 2011

Rational Modification of the Hierarchy of Intermolecular Interactions in Molecular Crystal Structures by Using Tunable Halogen Bonds

scientific article published on 01 August 2009

Reinterpretation of the monohydrate of clarithromycin from X-ray powder diffraction data as a trihydrate ⬇️

scientific article published on August 21, 2012

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

scientific article published in August 2006

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

scientific article published on 23 November 2007

Searching the Cambridge Structural Database for polymorphs

scientific article published on 23 September 2005

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

scientific article published on 12 July 2006

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

scientific article

Structure determination of oxamic acid from laboratory powder X-Ray diffraction data and energy minimization by DFT-D

scholarly article by Analio J. Dugarte-Dugarte et al published February 2019 in Journal of Molecular Structure

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

scientific article

Structure of Pigment Yellow 181 dimethylsulfoxide N-methyl-2-pyrrolidone (1:1:1) solvate from XRPD + DFT-D

scientific article

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

scientific article published on 19 October 2013

Structures of six industrial benzimidazolone pigments from laboratory powder diffraction data

scientific article

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

scientific article published on 15 February 2017

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

scientific article published on 01 January 2009

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

scientific article published on 08 July 2011

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

scientific article published on 17 November 2011

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

scientific article published on 11 September 2010

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

scientific article

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

scientific article

List of works by Jacco van de Streek

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

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

Amodiaquinium dichloride dihydrate from laboratory powder diffraction data

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

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

Complementing high-throughput X-ray powder diffraction data with quantum-chemical calculations: Application to piroxicam form III.

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

Crystal structure and tautomerism of Pigment Yellow 138 determined by X-ray powder diffraction and solid-state NMR

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

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

Different structural destinations: comparing reactions of [CuBr2(3-Brpy)2] crystals with HBr and HCl gas

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

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 (13)C solid-state NMR.

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

GDASH: a grid-enabled program for structure solution from powder diffraction data

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

How many ritonavir cases are there still out there?

Knowledge-based approaches to crystal design

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

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

MDASH: a multi-core-enabled program for structure solution from powder diffraction data

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

Mercury CSD 2.0– new features for the visualization and investigation of crystal structures

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

On the high-temperature phase of barbituric acid

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

On the irrelevance of electrostatics for the crystal structures and polymorphism of long even n-alkanes

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

Polymorphism of Scyllo-Inositol: Joining Crystal Structure Prediction with Experiment to Elucidate the Structures of Two Polymorphs

Progress in crystal structure prediction

Rational Modification of the Hierarchy of Intermolecular Interactions in Molecular Crystal Structures by Using Tunable Halogen Bonds

Reinterpretation of the monohydrate of clarithromycin from X-ray powder diffraction data as a trihydrate ⬇️

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

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

Searching the Cambridge Structural Database for polymorphs

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

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

Structure determination of oxamic acid from laboratory powder X-Ray diffraction data and energy minimization by DFT-D

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

Structure of Pigment Yellow 181 dimethylsulfoxide N-methyl-2-pyrrolidone (1:1:1) solvate from XRPD + DFT-D

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

Structures of six industrial benzimidazolone pigments from laboratory powder diffraction data

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

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

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

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

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

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

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