Turner MJ - Search Results

1

Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2.

Fugel M, Jayatilaka D, Hupf E, Overgaard J, Hathwar VR, Macchi P, Turner MJ, Howard JAK, Dolomanov OV, Puschmann H, Iversen BB, Bürgi HB, Grabowsky S. Fugel M, et al. Among authors: turner mj. IUCrJ. 2018 Jan 1;5(Pt 1):32-44. doi: 10.1107/S2052252517015548. eCollection 2018 Jan 1. IUCrJ. 2018. PMID: 29354269 Free PMC article.

2

The advanced treatment of hydrogen bonding in quantum crystallography.

Malaspina LA, Genoni A, Jayatilaka D, Turner MJ, Sugimoto K, Nishibori E, Grabowsky S. Malaspina LA, et al. Among authors: turner mj. J Appl Crystallogr. 2021 Apr 16;54(Pt 3):718-729. doi: 10.1107/S1600576721001126. eCollection 2021 Jun 1. J Appl Crystallogr. 2021. PMID: 34188611 Free PMC article.

3

Covalency and Ionicity Do Not Oppose Each Other-Relationship Between Si-O Bond Character and Basicity of Siloxanes.

Fugel M, Hesse MF, Pal R, Beckmann J, Jayatilaka D, Turner MJ, Karton A, Bultinck P, Chandler GS, Grabowsky S. Fugel M, et al. Among authors: turner mj. Chemistry. 2018 Oct 12;24(57):15275-15286. doi: 10.1002/chem.201802197. Epub 2018 Sep 21. Chemistry. 2018. PMID: 29999553

4

Kleemiss F, Wieduwilt EK, Hupf E, Shi MW, Stewart SG, Jayatilaka D, Turner MJ, Sugimoto K, Nishibori E, Schirmeister T, Schmidt TC, Engels B, Grabowsky S. Kleemiss F, et al. Among authors: turner mj. Chemistry. 2021 Feb 15;27(10):3407-3419. doi: 10.1002/chem.202003978. Epub 2021 Jan 14. Chemistry. 2021. PMID: 33090581 Free PMC article.

5

Visualizing lithium-ion migration pathways in battery materials.

Filsø MØ, Turner MJ, Gibbs GV, Adams S, Spackman MA, Iversen BB. Filsø MØ, et al. Among authors: turner mj. Chemistry. 2013 Nov 11;19(46):15535-44. doi: 10.1002/chem.201301504. Epub 2013 Oct 2. Chemistry. 2013. PMID: 24123661

6

Refractive indices for molecular crystals from the response of X-ray constrained Hartree-Fock wavefunctions.

Jayatilaka D, Munshi P, Turner MJ, Howard JA, Spackman MA. Jayatilaka D, et al. Among authors: turner mj. Phys Chem Chem Phys. 2009 Sep 7;11(33):7209-18. doi: 10.1039/b906072c. Epub 2009 Jun 10. Phys Chem Chem Phys. 2009. PMID: 19672531

7

CrystalExplorer: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals.

Spackman PR, Turner MJ, McKinnon JJ, Wolff SK, Grimwood DJ, Jayatilaka D, Spackman MA. Spackman PR, et al. Among authors: turner mj. J Appl Crystallogr. 2021 Apr 27;54(Pt 3):1006-1011. doi: 10.1107/S1600576721002910. eCollection 2021 Jun 1. J Appl Crystallogr. 2021. PMID: 34188619 Free PMC article.

8

Energy frameworks: insights into interaction anisotropy and the mechanical properties of molecular crystals.

Turner MJ, Thomas SP, Shi MW, Jayatilaka D, Spackman MA. Turner MJ, et al. Chem Commun (Camb). 2015 Mar 4;51(18):3735-8. doi: 10.1039/c4cc09074h. Chem Commun (Camb). 2015. PMID: 25525647

9

Modeling electron density distributions from X-ray diffraction to derive optical properties: constrained wavefunction versus multipole refinement.

Hickstein DD, Cole JM, Turner MJ, Jayatilaka D. Hickstein DD, et al. Among authors: turner mj. J Chem Phys. 2013 Aug 14;139(6):064108. doi: 10.1063/1.4817662. J Chem Phys. 2013. PMID: 23947844

10

Accurate and Efficient Model Energies for Exploring Intermolecular Interactions in Molecular Crystals.

Turner MJ, Grabowsky S, Jayatilaka D, Spackman MA. Turner MJ, et al. J Phys Chem Lett. 2014 Dec 18;5(24):4249-55. doi: 10.1021/jz502271c. Epub 2014 Nov 26. J Phys Chem Lett. 2014. PMID: 26273970 Free article.

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