Christie JK - Search Results

1

Molecular Dynamics Simulations of Binary Phosphate Glass Using the ReaxFF Potential.

Fallah Z, Christie JK. Fallah Z, et al. Among authors: christie jk. J Phys Chem B. 2024 Nov 21;128(46):11460-11467. doi: 10.1021/acs.jpcb.4c04925. Epub 2024 Nov 11. J Phys Chem B. 2024. PMID: 39529383 Free PMC article.

2

Atomic structure of Mg-based metallic glasses from molecular dynamics and neutron diffraction.

Gulenko A, Forto Chungong L, Gao J, Todd I, Hannon AC, Martin RA, Christie JK. Gulenko A, et al. Among authors: christie jk. Phys Chem Chem Phys. 2017 Mar 22;19(12):8504-8515. doi: 10.1039/c6cp03261c. Phys Chem Chem Phys. 2017. PMID: 28287216 Free article.

3

An investigation into the adsorption mechanism of n-butanol by ZIF-8: a combined experimental and ab initio molecular dynamics approach.

Wallbridge SP, Archer S, Elsegood MRJ, Wagner JL, Christie JK, Dann SE. Wallbridge SP, et al. Among authors: christie jk. Phys Chem Chem Phys. 2023 Jul 26;25(29):19911-19922. doi: 10.1039/d3cp02493h. Phys Chem Chem Phys. 2023. PMID: 37458457

4

Structures and properties of phosphate-based bioactive glasses from computer simulation: a review.

Christie JK , Ainsworth RI , Hernandez SER , de Leeuw NH . Christie JK , et al. J Mater Chem B. 2017 Jul 21;5(27):5297-5306. doi: 10.1039/c7tb01236e. Epub 2017 Jun 26. J Mater Chem B. 2017. PMID: 32264067

5

Molecular dynamics simulations and structural descriptors of radioisotope glass vectors for in situ radiotherapy.

Christie JK, Tilocca A. Christie JK, et al. J Phys Chem B. 2012 Oct 18;116(41):12614-20. doi: 10.1021/jp304200f. Epub 2012 Oct 1. J Phys Chem B. 2012. PMID: 22978422

6

Clustering of fluoride and phosphate ions in bioactive glass from computer simulation.

Christie JK. Christie JK. Philos Trans A Math Phys Eng Sci. 2023 Oct 16;381(2258):20220345. doi: 10.1098/rsta.2022.0345. Epub 2023 Aug 28. Philos Trans A Math Phys Eng Sci. 2023. PMID: 37634536 Free PMC article.

7

Fluorine environment in bioactive glasses: ab initio molecular dynamics simulations.

Christie JK, Pedone A, Menziani MC, Tilocca A. Christie JK, et al. J Phys Chem B. 2011 Mar 10;115(9):2038-45. doi: 10.1021/jp110788h. Epub 2011 Feb 15. J Phys Chem B. 2011. PMID: 21322627

8

On the structure of biomedical silver-doped phosphate-based glasses from molecular dynamics simulations.

Ainsworth RI, Christie JK, de Leeuw NH. Ainsworth RI, et al. Among authors: christie jk. Phys Chem Chem Phys. 2014 Oct 21;16(39):21135-43. doi: 10.1039/c4cp00574k. Epub 2014 Jul 29. Phys Chem Chem Phys. 2014. PMID: 25069608

9

Carbon dioxide and water incorporation mechanisms in SrFeO_3-δ phases: a computational study.

Ford LJ , Slater PR , Christie JK , Goddard P . Ford LJ , et al. Among authors: christie jk. Phys Chem Chem Phys. 2020 Nov 21;22(43):25146-25155. doi: 10.1039/d0cp03537h. Epub 2020 Oct 29. Phys Chem Chem Phys. 2020. PMID: 33119007

10

Effect of strontium inclusion on the bioactivity of phosphate-based glasses.

Christie JK, de Leeuw NH. Christie JK, et al. J Mater Sci. 2017;52(15):9014-9022. doi: 10.1007/s10853-017-1155-x. Epub 2017 May 11. J Mater Sci. 2017. PMID: 32055076 Free PMC article.

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