Centro de Nanociencia y Tecnologías Sostenibles (CNATS)
Centro de investigación
C. R. A.
Catlow
Publicaciones en las que colabora con C. R. A. Catlow (23)
2022
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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
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Are glycine cyclic dimers stable in aqueous solution?
CrystEngComm, Vol. 13, Núm. 13, pp. 4391-4399
2010
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Exploration of multiple energy landscapes for zirconia nanoclusters
Physical Chemistry Chemical Physics, Vol. 12, Núm. 30, pp. 8454-8465
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Modelling nano-clusters and nucleation
Physical Chemistry Chemical Physics, Vol. 12, Núm. 4, pp. 786-811
2009
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Experimental and computational studies of ZnS nanostructures
Molecular Simulation, Vol. 35, Núm. 12-13, pp. 1015-1032
2008
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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
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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
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Modelling nucleation and nano-particle structures
Molecular Physics
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Symmetry-adapted configurational modelling of fractional site occupancy in solids
Journal of Physics Condensed Matter, Vol. 19, Núm. 25
2006
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Applications of DL_POLY and DL_MULTI to Organic Molecular Crystals
Molecular Simulation, Vol. 32, Núm. 12-13, pp. 985-997
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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
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Electronic excitation energies of ZniSi nanoparticles
Nanotechnology, Vol. 17, Núm. 16, pp. 4100-4105
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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
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Properties of small TiO2, ZrO2 and HfO2 nanoparticles
Journal of Materials Chemistry, Vol. 16, Núm. 20, pp. 1927-1933
2005
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Simulation of the embryonic stage of ZnS formation from aqueous solution
Journal of the American Chemical Society, Vol. 127, Núm. 8, pp. 2580-2590
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Structure and properties of ZnS nanoclusters
Journal of Physical Chemistry B, Vol. 109, Núm. 7, pp. 2703-2709
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Structure and stability of small TiO2 nanoparticles
Journal of Physical Chemistry B, Vol. 109, Núm. 33, pp. 15741-15748
2004
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ZnS bubble clusters with onion-like structures
Chemical Communications, Vol. 4, Núm. 7, pp. 864-865
2003
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Computational Evidence of Bubble ZnS Clusters
Journal of Physical Chemistry B, Vol. 107, Núm. 38, pp. 10337-10340
2002
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Surface structures and crystal morphology of ZnS: Computational study
Journal of Physical Chemistry B, Vol. 106, Núm. 42, pp. 11002-11008