Cardiff University | Prifysgol Caerdydd ORCA
Online Research @ Cardiff 
WelshClear Cookie - decide language by browser settings

Browse by All Cardiff Authors

[up] Up a level
Number of items: 12.

Ruiz Hernandez, Sergio E. ORCID: https://orcid.org/0000-0003-3149-7331, Ainsworth, Richard I. and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2020. A molecular dynamics study of the effect of water diffusion into bio-active phosphate-based glass surfaces on their dissolution behaviour. Journal of Non-Crystalline Solids 548 , 120332. 10.1016/j.jnoncrysol.2020.120332
file

Christie, Jamieson K., Ainsworth, Richard I, Ruiz Hernandez, Sergio Ernesto ORCID: https://orcid.org/0000-0003-3149-7331 and De Leeuw, Nora Henriette ORCID: https://orcid.org/0000-0002-8271-0545 2017. Structures and properties of phosphate-based bioactive glasses from computer simulation: a review. Journal of Materials Chemistry B 5 (27) , pp. 5297-5306. 10.1039/C7TB01236E
file

Irrera, Simona, Ruiz-Hernandez, Sergio E. ORCID: https://orcid.org/0000-0003-3149-7331, Reggente, Melania, Passeri, Daniele, Natali, Marco, Gala, Fabrizio, Zollo, Giuseppe, Rossi, Marco and Portalone, Gustavo 2017. Self-assembling of calcium salt of the new DNA base 5-carboxylcytosine. Applied Surface Science 407 , pp. 297-306. 10.1016/j.apsusc.2017.02.171
file

Ruiz Hernandez, Sergio ORCID: https://orcid.org/0000-0003-3149-7331, Ainsworth, Richard I. and de Leeuw, Nora ORCID: https://orcid.org/0000-0002-8271-0545 2016. Molecular dynamics simulations of bio-active phosphate-based glass surfaces. Journal of Non-Crystalline Solids 451 , pp. 131-137. 10.1016/j.jnoncrysol.2016.06.004
file

Ruiz Hernandez, Sergio ORCID: https://orcid.org/0000-0003-3149-7331 and de Leeuw, Nora ORCID: https://orcid.org/0000-0002-8271-0545 2015. Effect of chondroitin 4-sulfate on the growth and morphology of calcium oxalate monohydrate: A molecular dynamics study. Crystal Growth and Design 15 (9) , pp. 4438-4447. 10.1021/acs.cgd.5b00747

Shields, A.E., Ruiz Hernandez, Sergio ORCID: https://orcid.org/0000-0003-3149-7331 and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2015. Theoretical analysis of uranium-doped thorium dioxide: Introduction of a thoria force field with explicit polarization. Aip Advances 5 (8) , 87118. 10.1063/1.4928438
file

Ruiz Hernandez, Sergio ORCID: https://orcid.org/0000-0003-3149-7331, Streeter, I. and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 2015. The effect of water on the binding of glycosaminoglycan saccharides to hydroxyapatite surfaces: A molecular dynamics study. Physical Chemistry Chemical Physics -Cambridge- Royal Society of Chemistry 17 (34) , pp. 22377-22388. 10.1039/c5cp02630j
file

Shields, A. E., Ruiz Hernandez, Sergio ORCID: https://orcid.org/0000-0003-3149-7331 and de Leeuw, Nora ORCID: https://orcid.org/0000-0002-8271-0545 2015. Configurational analysis of uranium-doped thorium dioxide. IOP Conference Series: Materials Science and Engineering 80 (1) , 012007.
file

Gonzalez-Lopez, J., Ruiz Hernandez, Sergio ORCID: https://orcid.org/0000-0003-3149-7331, Fernandez-Gonzalez, T., Jimenez, A., de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 and Grau-Crespo, R. 2014. Cobalt incorporation in calcite: Thermochemistry of (Ca, Co)CO3 solid solutions from density functional theory simulations. Geochimica et Cosmochimica Acta 142 (1) , pp. 205-216. 10.1016/j.gca.2014.07.026

Di Tommaso, Devis, Ruiz Hernandez, Sergio ORCID: https://orcid.org/0000-0003-3149-7331, Du, Zheimei and de Leeuw, Nora ORCID: https://orcid.org/0000-0002-8271-0545 2012. Density functional theory and interatomic potential study of structural, mechanical and surface properties of calcium oxalate materials. RSC Advances 2 (11) , pp. 4664-4674. 10.1039/c2ra00832g

Ruiz Hernandez, Sergio ORCID: https://orcid.org/0000-0003-3149-7331, Grau-Crespo, Ricardo, Almora-Barrios, Neyvis, Wolthers, Mariëtte, Ruiz-Salvador, A. Rabdel, Fernandez, Nestor and de Leeuw, Nora ORCID: https://orcid.org/0000-0002-8271-0545 2012. Mg/Ca partitioning between aqueous solution and aragonite mineral: a molecular dynamics study. Chemistry - a European Journal 18 (32) , pp. 9828-9833. 10.1002/chem.201200966

Ruiz Hernandez, Sergio ORCID: https://orcid.org/0000-0003-3149-7331, Grau-Crespo, Ricardo, Ruiz-Salvador, A. Rabdel and de Leeuw, Nora ORCID: https://orcid.org/0000-0002-8271-0545 2010. Thermochemistry of strontium incorporation in aragonite from atomistic simulations. Geochimica et Cosmochimica Acta 74 (4) , pp. 1320-1328. 10.1016/j.gca.2009.10.049

This list was generated on Tue Apr 15 07:47:22 2025 BST.


Maintained by Cardiff University Information Services