NEYVIS
ALMORA BARRIOS
AJUDANT DOCTOR/A
University College London
Londres, Reino UnidoPublications in collaboration with researchers from University College London (11)
2013
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A computational study of magnesium incorporation in the bulk and surfaces of hydroxyapatite
Langmuir, Vol. 29, Núm. 19, pp. 5851-5856
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Scanning tunneling microscopy and molecular dynamics study of the Li 2TiO3(001) surface
Journal of Physical Chemistry C, Vol. 117, Núm. 10, pp. 5126-5131
2012
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Mg/Ca partitioning between aqueous solution and aragonite mineral: A molecular dynamics study
Chemistry - A European Journal, Vol. 18, Núm. 32, pp. 9828-9833
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Molecular dynamics simulation of the early stages of nucleation of hydroxyapatite at a collagen template
Crystal Growth and Design, Vol. 12, Núm. 2, pp. 756-763
2011
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Magnesium incorporation into hydroxyapatite
Biomaterials, Vol. 32, Núm. 7, pp. 1826-1837
2010
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A density functional theory study of the interaction of collagen peptides with hydroxyapatite surfaces
Langmuir, Vol. 26, Núm. 18, pp. 14535-14542
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Modelling the interaction of a Hyp-Pro-Gly peptide with hydroxyapatite surfaces in aqueous environment
CrystEngComm, Vol. 12, Núm. 3, pp. 960-967
2009
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Density functional theory study of the binding of glycine, proline, and hydroxyproline to the hydroxyapatite (0001) and (0110) surfaces
Langmuir, Vol. 25, Núm. 9, pp. 5018-5025
2008
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Density functional theory calculations and molecular dynamics simulations of the interaction of bio-molecules with hydroxyapatite surfaces in an aqueous environment
Materials Research Society Symposium Proceedings
2007
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Interplay of water, extra-framework cations and framework atoms in the structure of low-silica zeolites: The case of the natural zeolite Goosecreekite as studied by computer simulation
Physical Chemistry Chemical Physics, Vol. 9, Núm. 4, pp. 521-532
2002
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Modelling of hydrated ca-rich zeolites
Molecular Simulation