Thomas SP - Search Results

1

Quantifying Mechanical Properties of Molecular Crystals: A Critical Overview of Experimental Elastic Tensors.

Spackman PR, Grosjean A, Thomas SP, Karothu DP, Naumov P, Spackman MA. Spackman PR, et al. Among authors: thomas sp. Angew Chem Int Ed Engl. 2022 Feb 1;61(6):e202110716. doi: 10.1002/anie.202110716. Epub 2021 Nov 25. Angew Chem Int Ed Engl. 2022. PMID: 34664351 Review.

2

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. Among authors: thomas sp. Chem Commun (Camb). 2015 Mar 4;51(18):3735-8. doi: 10.1039/c4cc09074h. Chem Commun (Camb). 2015. PMID: 25525647

3

'Quasi-isostructural polymorphism' in molecular crystals: inputs from interaction hierarchy and energy frameworks.

Dey D, Thomas SP, Spackman MA, Chopra D. Dey D, et al. Among authors: thomas sp. Chem Commun (Camb). 2016 Feb 4;52(10):2141-4. doi: 10.1039/c5cc09741j. Chem Commun (Camb). 2016. PMID: 26693707 Free article.

4

High Throughput Profiling of Molecular Shapes in Crystals.

Spackman PR, Thomas SP, Jayatilaka D. Spackman PR, et al. Among authors: thomas sp. Sci Rep. 2016 Feb 24;6:22204. doi: 10.1038/srep22204. Sci Rep. 2016. PMID: 26908351 Free PMC article.

5

Energy frameworks and a topological analysis of the supramolecular features in in situ cryocrystallized liquids: tuning the weak interaction landscape via fluorination.

Dey D, Bhandary S, Thomas SP, Spackman MA, Chopra D. Dey D, et al. Among authors: thomas sp. Phys Chem Chem Phys. 2016 Nov 23;18(46):31811-31820. doi: 10.1039/c6cp05917a. Phys Chem Chem Phys. 2016. PMID: 27841399

6

Magnetically recoverable Fe₃O₄@Au-coated nanoscale catalysts for the A³-coupling reaction.

Munshi AM, Shi M, Thomas SP, Saunders M, Spackman MA, Iyer KS, Smith NM. Munshi AM, et al. Among authors: thomas sp. Dalton Trans. 2017 Apr 19;46(16):5133-5137. doi: 10.1039/c7dt00058h. Dalton Trans. 2017. PMID: 28350409 Free article.

7

The Elusive Structural Origin of Plastic Bending in Dimethyl Sulfone Crystals with Quasi-isotropic Crystal Packing.

Thomas SP, Shi MW, Koutsantonis GA, Jayatilaka D, Edwards AJ, Spackman MA. Thomas SP, et al. Angew Chem Int Ed Engl. 2017 Jul 10;56(29):8468-8472. doi: 10.1002/anie.201701972. Epub 2017 May 4. Angew Chem Int Ed Engl. 2017. PMID: 28470995

8

Accurate Lattice Energies for Molecular Crystals from Experimental Crystal Structures.

Thomas SP, Spackman PR, Jayatilaka D, Spackman MA. Thomas SP, et al. J Chem Theory Comput. 2018 Mar 13;14(3):1614-1623. doi: 10.1021/acs.jctc.7b01200. Epub 2018 Feb 16. J Chem Theory Comput. 2018. PMID: 29406748 Free article.

9

Revisiting a Historical Concept by Using Quantum Crystallography: Are Phosphate, Sulfate and Perchlorate Anions Hypervalent?

Fugel M, Malaspina LA, Pal R, Thomas SP, Shi MW, Spackman MA, Sugimoto K, Grabowsky S. Fugel M, et al. Among authors: thomas sp. Chemistry. 2019 May 7;25(26):6523-6532. doi: 10.1002/chem.201806247. Epub 2019 Mar 14. Chemistry. 2019. PMID: 30759315

10

Measurement of Electric Fields Experienced by Urea Guest Molecules in the 18-Crown-6/Urea (1:5) Host-Guest Complex: An Experimental Reference Point for Electric-Field-Assisted Catalysis.

Shi MW, Thomas SP, Hathwar VR, Edwards AJ, Piltz RO, Jayatilaka D, Koutsantonis GA, Overgaard J, Nishibori E, Iversen BB, Spackman MA. Shi MW, et al. Among authors: thomas sp. J Am Chem Soc. 2019 Mar 6;141(9):3965-3976. doi: 10.1021/jacs.8b12927. Epub 2019 Feb 21. J Am Chem Soc. 2019. PMID: 30761898 Free article.

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