| The structure of schwertmannite, a nanocrystalline iron oxyhydroxysulfate A Fernandez-Martinez, V Timon, G Roman-Ross, GJ Cuello, JE Daniels, ... American Mineralogist 95 (8-9), 1312-1322, 2010 | 133 | 2010 |
| Quantum mechanical calculations of dioctahedral 2: 1 phyllosilicates: Effect of octahedral cation distributions in pyrophyllite, illite, and smectite CI Sainz-Díaz, V Timón, V Botella, E Artacho, A Hernández-Laguna American Mineralogist 87 (7), 958-965, 2002 | 90 | 2002 |
| Isomorphous substitution effect on the vibration frequencies of hydroxyl groups in molecular cluster models of the clay octahedral sheet CI Sainz-Diaz, V Timon, V Botella, A Hernandez-Laguna American Mineralogist 85 (7-8), 1038-1045, 2000 | 64 | 2000 |
| Periodic Density Functional Theory Study of the Structure, Raman Spectrum, and Mechanical Properties of Schoepite Mineral F Colmenero, J Cobos, V Timón Inorganic chemistry 57 (8), 4470-4481, 2018 | 57 | 2018 |
| Study of the thermal stability of studtite by in situ Raman spectroscopy and DFT calculations F Colmenero, LJ Bonales, J Cobos, V Timón Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 174, 245-253, 2017 | 55 | 2017 |
| Density Functional Theory Study of the Thermodynamic and Raman Vibrational Properties of γ-UO3Polymorph F Colmenero, LJ Bonales, J Cobos, V Timón The Journal of Physical Chemistry C, 2017 | 52 | 2017 |
| Spectroscopic Raman characterization of rutherfordine: a combined DFT and experimental study LJ Bonales, F Colmenero, J Cobos, V Timón Physical Chemistry Chemical Physics, 2016 | 52 | 2016 |
| DFT study of the cation arrangements in the octahedral and tetrahedral sheets of dioctahedral 2: 1 phyllosilicates A Hernández-Laguna, E Escamilla-Roa, V Timón, MT Dove, ... Physics and chemistry of minerals 33 (10), 655-666, 2006 | 51 | 2006 |
| Hydrogen bonding and vibrational properties of hydroxy groups in the crystal lattice of dioctahedral clay minerals by means of first principles calculations V Botella, V Timon, E Escamilla-Roa, A Hernandez-Languna, ... Physics and Chemistry of Minerals 31 (8), 475-486, 2004 | 47 | 2004 |
| Thermodynamic and Mechanical Properties of the Rutherfordine Mineral Based on Density Functional Theory F Colmenero, LJ Bonales, J Cobos, V Timón The Journal of Physical Chemistry C 121 (11), 5994-6001, 2017 | 46 | 2017 |
| Structural, mechanical and vibrational study of uranyl silicate mineral soddyite by DFT calculations F Colmenero, LJ Bonales, J Cobos, V Timón Journal of Solid State Chemistry 253, 249-257, 2017 | 43 | 2017 |
| Becquerelite mineral phase: crystal structure and thermodynamic and mechanical stability by using periodic DFT F Colmenero, AM Fernández, V Timón, J Cobos RSC Advances 8 (43), 24599-24616, 2018 | 40 | 2018 |
| Thermodynamic Properties of Uranyl-Containing Materials Based on Density Functional Theory F Colmenero, AM Fernández, J Cobos, V Timón The Journal of Physical Chemistry C 122 (10), 5254-5267, 2018 | 38 | 2018 |
| Temperature-Dependent Gibbs Free Energies of Reaction of Uranyl-Containing Materials Based on Density Functional Theory F Colmenero, AM Fernández, J Cobos, V Timón The Journal of Physical Chemistry C 122 (10), 5268-5279, 2018 | 38 | 2018 |
| Dehydroxylation mechanisms in Al< sup> 3+</sup>/Fe< sup> 3+</sup> dioctahedral phyllosilicates by quantum mechanical methods with cluster models E Molina-Montes, V Timón, A Hernández-Laguna, CI Sainz-Díaz Geochimica et Cosmochimica Acta 72 (16), 3929-3938, 2008 | 37* | 2008 |
| First-principles calculations of 2× 2 reconstructions of GaN (0001) surfaces involving N, Al, Ga, In, and As atoms V Timon, S Brand, SJ Clark, MC Gibson, RA Abram Physical Review B 72 (3), 035327, 2005 | 36 | 2005 |
| Isomorphous cation substitution in dioctahedral phyllosilicates by means of ab initio quantum mechanical calculations on clusters V Timón, CI Sainz-Díaz, V Botella, A Hernández-Laguna American Mineralogist 88 (11-12), 1788-1795, 2003 | 32 | 2003 |
| Study of the structural, vibrational and thermodynamic properties of natroxalate mineral using density functional theory F Colmenero, V Timón Journal of Solid State Chemistry 263, 131-140, 2018 | 30 | 2018 |
| Structural single and multiple molecular adsorption of CO 2 and H 2 O in zeolitic imidazolate framework (ZIF) crystals V Timón, ML Senent, M Hochlaf Microporous and Mesoporous Materials 218, 33-41, 2015 | 30 | 2015 |
| Periodic DFT study of the thermodynamic properties and stability of schoepite and metaschoepite mineral phases F Colmenero, AM Fernández, J Cobos, V Timón ACS Earth and Space Chemistry 3 (1), 17-28, 2018 | 28 | 2018 |
