Day GM - Search Results

1

Pseudoracemic amino acid complexes: blind predictions for flexible two-component crystals.

Görbitz CH, Dalhus B, Day GM. Görbitz CH, et al. Among authors: day gm. Phys Chem Chem Phys. 2010 Aug 14;12(30):8466-77. doi: 10.1039/c004055j. Epub 2010 May 11. Phys Chem Chem Phys. 2010. PMID: 20461256

2

A strategy for predicting the crystal structures of flexible molecules: the polymorphism of phenobarbital.

Day GM, S Motherwell WD, Jones W. Day GM, et al. Phys Chem Chem Phys. 2007 Apr 14;9(14):1693-704. doi: 10.1039/b612190j. Epub 2007 Jan 24. Phys Chem Chem Phys. 2007. PMID: 17396181

3

Structure prediction, disorder and dynamics in a DMSO solvate of carbamazepine.

Cruz-Cabeza AJ, Day GM, Jones W. Cruz-Cabeza AJ, et al. Among authors: day gm. Phys Chem Chem Phys. 2011 Jul 28;13(28):12808-16. doi: 10.1039/c1cp20927b. Epub 2011 Jun 14. Phys Chem Chem Phys. 2011. PMID: 21670828

4

Single-crystal investigation of L-tryptophan with Z' = 16.

Görbitz CH, Törnroos KW, Day GM. Görbitz CH, et al. Among authors: day gm. Acta Crystallogr B. 2012 Oct;68(Pt 5):549-57. doi: 10.1107/S0108768112033484. Epub 2012 Sep 13. Acta Crystallogr B. 2012. PMID: 22992800

5

Benchmark fragment-based (1)H, (13)C, (15)N and (17)O chemical shift predictions in molecular crystals.

Hartman JD, Kudla RA, Day GM, Mueller LJ, Beran GJ. Hartman JD, et al. Among authors: day gm. Phys Chem Chem Phys. 2016 Aug 21;18(31):21686-709. doi: 10.1039/c6cp01831a. Epub 2016 Jul 19. Phys Chem Chem Phys. 2016. PMID: 27431490 Free PMC article.

6

Introduction to the special issue on crystal structure prediction.

Day GM, Görbitz CH. Day GM, et al. Acta Crystallogr B Struct Sci Cryst Eng Mater. 2016 Aug 1;72(Pt 4):435-6. doi: 10.1107/S2052520616012348. Epub 2016 Aug 1. Acta Crystallogr B Struct Sci Cryst Eng Mater. 2016. PMID: 27484366 No abstract available.

7

Understanding the influence of polymorphism on phonon spectra: lattice dynamics calculations and terahertz spectroscopy of carbamazepine.

Day GM, Zeitler JA, Jones W, Rades T, Taday PF. Day GM, et al. J Phys Chem B. 2006 Jan 12;110(1):447-56. doi: 10.1021/jp055439y. J Phys Chem B. 2006. PMID: 16471555

8

Modeling the interplay of inter- and intramolecular hydrogen bonding in conformational polymorphs.

Karamertzanis PG, Day GM, Welch GW, Kendrick J, Leusen FJ, Neumann MA, Price SL. Karamertzanis PG, et al. Among authors: day gm. J Chem Phys. 2008 Jun 28;128(24):244708. doi: 10.1063/1.2937446. J Chem Phys. 2008. PMID: 18601366

9

Towards prediction of stoichiometry in crystalline multicomponent complexes.

Cruz-Cabeza AJ, Day GM, Jones W. Cruz-Cabeza AJ, et al. Among authors: day gm. Chemistry. 2008;14(29):8830-8836. doi: 10.1002/chem.200800668. Chemistry. 2008. PMID: 18752227

10

Modelling organic crystal structures using distributed multipole and polarizability-based model intermolecular potentials.

Price SL, Leslie M, Welch GW, Habgood M, Price LS, Karamertzanis PG, Day GM. Price SL, et al. Among authors: day gm. Phys Chem Chem Phys. 2010 Aug 14;12(30):8478-90. doi: 10.1039/c004164e. Epub 2010 Jul 7. Phys Chem Chem Phys. 2010. PMID: 20607186

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