Publications en collaboration avec des chercheurs de University College London (12)

2015

  1. Chemical and structural stability of zirconium-based metal-organic frameworks with large three-dimensional pores by linker engineering

    Angewandte Chemie - International Edition, Vol. 54, Núm. 1, pp. 221-226

2013

  1. A computational study of magnesium incorporation in the bulk and surfaces of hydroxyapatite

    Langmuir, Vol. 29, Núm. 19, pp. 5851-5856

  2. 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

  1. Mg/Ca partitioning between aqueous solution and aragonite mineral: A molecular dynamics study

    Chemistry - A European Journal, Vol. 18, Núm. 32, pp. 9828-9833

  2. 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

  1. Magnesium incorporation into hydroxyapatite

    Biomaterials, Vol. 32, Núm. 7, pp. 1826-1837

2010

  1. A density functional theory study of the interaction of collagen peptides with hydroxyapatite surfaces

    Langmuir, Vol. 26, Núm. 18, pp. 14535-14542

  2. Modelling the interaction of a Hyp-Pro-Gly peptide with hydroxyapatite surfaces in aqueous environment

    CrystEngComm, Vol. 12, Núm. 3, pp. 960-967

2009

  1. 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

  1. 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

  1. 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

  1. Modelling of hydrated ca-rich zeolites

    Molecular Simulation