Publicaciones en las que colabora con C. R. A. Catlow (23)

2022

  1. Understanding the stability and structural properties of ordered nanoporous metals towards their rational synthesis

    Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 478, Núm. 2266

2011

  1. Are glycine cyclic dimers stable in aqueous solution?

    CrystEngComm, Vol. 13, Núm. 13, pp. 4391-4399

2010

  1. Exploration of multiple energy landscapes for zirconia nanoclusters

    Physical Chemistry Chemical Physics, Vol. 12, Núm. 30, pp. 8454-8465

  2. Modelling nano-clusters and nucleation

    Physical Chemistry Chemical Physics, Vol. 12, Núm. 4, pp. 786-811

2009

  1. Experimental and computational studies of ZnS nanostructures

    Molecular Simulation, Vol. 35, Núm. 12-13, pp. 1015-1032

2008

  1. Clustering of glycine molecules in aqueous solution studied by molecular dynamics simulation

    Journal of Physical Chemistry B, Vol. 112, Núm. 24, pp. 7280-7288

2007

  1. A multi-technique approach for probing the evolution of structural properties during crystallization of organic materials from solution

    Faraday Discussions, Vol. 136, pp. 71-89

  2. Modelling nucleation and nano-particle structures

    Molecular Physics

  3. Symmetry-adapted configurational modelling of fractional site occupancy in solids

    Journal of Physics Condensed Matter, Vol. 19, Núm. 25

2006

  1. Applications of DL_POLY and DL_MULTI to Organic Molecular Crystals

    Molecular Simulation, Vol. 32, Núm. 12-13, pp. 985-997

  2. Computational study of the relative stabilities of ZnS clusters, for sizes between 1 and 4 nm

    Journal of Crystal Growth, Vol. 294, Núm. 1, pp. 2-8

  3. Electronic excitation energies of ZniSi nanoparticles

    Nanotechnology, Vol. 17, Núm. 16, pp. 4100-4105

  4. Kinetic insights into the role of the solvent in the polymorphism of 5-fluorouracil from molecular dynamics simulations

    Journal of Physical Chemistry B, Vol. 110, Núm. 7, pp. 3323-3329

  5. Properties of small TiO2, ZrO2 and HfO2 nanoparticles

    Journal of Materials Chemistry, Vol. 16, Núm. 20, pp. 1927-1933

2005

  1. Simulation of the embryonic stage of ZnS formation from aqueous solution

    Journal of the American Chemical Society, Vol. 127, Núm. 8, pp. 2580-2590

  2. Structure and properties of ZnS nanoclusters

    Journal of Physical Chemistry B, Vol. 109, Núm. 7, pp. 2703-2709

  3. Structure and stability of small TiO2 nanoparticles

    Journal of Physical Chemistry B, Vol. 109, Núm. 33, pp. 15741-15748

2004

  1. ZnS bubble clusters with onion-like structures

    Chemical Communications, Vol. 4, Núm. 7, pp. 864-865

2003

  1. Computational Evidence of Bubble ZnS Clusters

    Journal of Physical Chemistry B, Vol. 107, Núm. 38, pp. 10337-10340

2002

  1. Surface structures and crystal morphology of ZnS: Computational study

    Journal of Physical Chemistry B, Vol. 106, Núm. 42, pp. 11002-11008