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1.
Clustering of fluoride and phosphate ions in bioactive glass from computer simulation.
Philos Trans A Math Phys Eng Sci
; 381(2258): 20220345, 2023 Oct 16.
Article
in English
| MEDLINE | ID: mdl-37634536
2.
An investigation into the adsorption mechanism of n-butanol by ZIF-8: a combined experimental and ab initio molecular dynamics approach.
Phys Chem Chem Phys
; 25(29): 19911-19922, 2023 Jul 26.
Article
in English
| MEDLINE | ID: mdl-37458457
3.
Atomic structure of Mg-based metallic glasses from molecular dynamics and neutron diffraction.
Phys Chem Chem Phys
; 19(12): 8504-8515, 2017 Mar 22.
Article
in English
| MEDLINE | ID: mdl-28287216
4.
On the structure of biomedical silver-doped phosphate-based glasses from molecular dynamics simulations.
Phys Chem Chem Phys
; 16(39): 21135-43, 2014 Oct 21.
Article
in English
| MEDLINE | ID: mdl-25069608
5.
Polarizable force field development and molecular dynamics study of phosphate-based glasses.
J Chem Phys
; 137(23): 234502, 2012 Dec 21.
Article
in English
| MEDLINE | ID: mdl-23267491
6.
Bioactive glasses as potential radioisotope vectors for in situ cancer therapy: investigating the structural effects of yttrium.
Phys Chem Chem Phys
; 13(39): 17749-55, 2011 Oct 21.
Article
in English
| MEDLINE | ID: mdl-21887425
7.
Structural properties and phase transitions in a silica clathrate.
J Chem Phys
; 134(7): 074506, 2011 Feb 21.
Article
in English
| MEDLINE | ID: mdl-21341858
8.
Multi-layer Scaffolds of Poly(caprolactone), Poly(glycerol sebacate) and Bioactive Glasses Manufactured by Combined 3D Printing and Electrospinning.
Nanomaterials (Basel)
; 10(4)2020 Mar 28.
Article
in English
| MEDLINE | ID: mdl-32231007
9.
Structures and properties of phosphate-based bioactive glasses from computer simulation: a review.
J Mater Chem B
; 5(27): 5297-5306, 2017 Jul 21.
Article
in English
| MEDLINE | ID: mdl-32264067
10.
Ab initio molecular dynamics simulations of structural changes associated with the incorporation of fluorine in bioactive phosphate glasses.
Biomaterials
; 35(24): 6164-71, 2014 Aug.
Article
in English
| MEDLINE | ID: mdl-24802671
11.
Nanoscale chains control the solubility of phosphate glasses for biomedical applications.
J Phys Chem B
; 117(36): 10652-7, 2013 Sep 12.
Article
in English
| MEDLINE | ID: mdl-23947716
12.
Molecular dynamics simulations and structural descriptors of radioisotope glass vectors for in situ radiotherapy.
J Phys Chem B
; 116(41): 12614-20, 2012 Oct 18.
Article
in English
| MEDLINE | ID: mdl-22978422
13.
Fluorine environment in bioactive glasses: ab initio molecular dynamics simulations.
J Phys Chem B
; 115(9): 2038-45, 2011 Mar 10.
Article
in English
| MEDLINE | ID: mdl-21322627
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