{"id":136,"date":"2018-04-20T07:07:28","date_gmt":"2018-04-20T07:07:28","guid":{"rendered":"http:\/\/metodos.fam.cie.uva.es\/paginagir\/?page_id=136"},"modified":"2021-10-22T10:48:13","modified_gmt":"2021-10-22T10:48:13","slug":"publicaciones","status":"publish","type":"page","link":"http:\/\/metodos.fam.cie.uva.es\/gir\/index.php\/publicaciones\/","title":{"rendered":"PUBLICACIONES"},"content":{"rendered":"
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PUBLICACIONES RECIENTES (desde 2015)<\/h2>\n\n\n\n\n\t\n\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t\n\t
 <\/th> <\/th>\n<\/tr>\n<\/thead>\n
<\/td>

Title: Ab initio study of longitudinal and transverse dynamics, including fast sound, in molten UO2<\/sub> and liquid Li-Pb.<\/strong>
\nAuthor(s): B.G. del Rio and L.E. Gonz\u00e1lez
\nSource: Journal of Chemical Physics 159, 234502 (2023)
\nDOI: 10.1063\/5.0182648<\/a>
\n<\/h4><\/td>\n<\/tr>\n

<\/td>

Title: An ab initio study of the static, dynamic and electronic properties of some liquid 5d transition metals near melting.<\/strong>
\nAuthor(s): D.J. Gonz\u00e1lez and L.E. Gonz\u00e1lez
\nSource: Condensed Matter Physics 26, 33601 (2023)
\nDOI: 10.5488\/CMP.26.33601<\/a>
\n<\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Structure and dynamics in liquid iron at high pressure and temperature. A first principles study.<\/strong>
\nAuthor(s): L.E. Gonz\u00e1lez and D.J. Gonz\u00e1lez
\nSource: Journal of Geophysical Research - Solid Earth 128, e2022JB025119 (2023)
\nDOI: 10.1029\/2022JB025119<\/a>
\n<\/h4><\/td>\n<\/tr>\n

<\/td>

Title: First principles determination of static, dynamic and electronic properties of some liquid 4d transition metals near melting.<\/strong>
\nAuthor(s): L.E. Gonz\u00e1lez and D.J. Gonz\u00e1lez
\nSource: International Journal of Refractory Metals and Hard Materials 107, 105898 (2022)
\nDOI: 10.1016\/j.ijrmhm.2022.105898<\/a>
\n<\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Why are Zn-rich Zn-Mg nanoalloys optimal protective coatings against corrosion? A first-principles study of the initial stages of the oxidation process. <\/strong>
\nAuthors: P. Alvarez-Zapatero, A. Lebon, R. H. Aguilera del Toro, A. Aguado, and A. Vega
\nSource: Physical Chemistry Chemical Physics 23, 24685 (2021).
\nDOI: 10.1039\/d1cp03447b<\/a>
\n<\/h4><\/td>\n<\/tr>\n

<\/td>

Title: On the doping of the Ga12<\/sub>As12<\/sub> cluster with groups p and d atomic impurities<\/strong>
\nAuthors: Jos\u00e9 Aar\u00f3n Rodr\u00edguez-Jim\u00e9nez, Faustino Aguilera-Granja, Juvencio Robles and Andr\u00e9s Vega
\nSource: Theoretical Chemistry Accounts 140 160 (2021).
\nDOI: 10.1007\/s00214-021-02846-6<\/a>
\n<\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Static structure, collective dynamics and transport coefficients in the
\nliquid Li-Pb alloy. An ab initio molecular dynamics study<\/strong>
\nAuthors: M. M. G. Alemany, Jaime Souto-Casares, Luis E. Gonz\u00e1lez, and David J. Gonz\u00e1lez
\nSource: Journal of Molecular Liquids 334 117775 (2021).
\nDOI: 10.1016\/j.molliq.2021.117775<\/a>
\n<\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Hydrogen storage capacity of Li-decorated borophene and
\npristine graphene slit pores: A combined ab initio and quantum-thermodynamic study.<\/strong>
\nAuthors: I. Cabria, A. Lebon, M. B. Torres, L. J. Gallego, and A. Vega
\nSource: Applied Surface Science 562, 150019 (2021).
\nDOI: 10.1039\/d0nr04505e<\/a>
\n<\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Comparison of theoretical methods of the hydrogen storage capacities of nanoporous carbons<\/strong>
\nAuthor: I. Cabria
\nSource: International Journal of Hydrogen Energy 46, 12192 - 12205 (2021).
\nDOI: 10.1016\/j.ijhydene.2020.04.212<\/a>
\n<\/h4><\/td>\n<\/tr>\n

<\/td>

Title: A neural network potential for searching the atomic structures of pure and mixed nanoparticles. Application to ZnMg nanoalloys with an eye on their anticorrosive properties<\/strong>
\nAuthors: P. Alvarez-Zapatero, A. Vega, and A. Aguado
\nSource: Acta Materialia 220, 117341 (2021).
\nDOI: 10.1016\/j.actamat.2021.117341<\/a>
\n<\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Ab initio study of lithium decoration of popgraphene and hydrogen storage capacity of the hybrid nanostructure.
\n<\/strong>
\nAuthors: P. Alvarez-Zapatero, A. Herrero, A. Lebon, L. J. Gallego, and A. Vega
\nSource: International Journal of Hydrogen Energy 46, 15724-15737 (2021).
\nDOI: 10.1016\/j.ijhydene.2021.02.058<\/a>
\n<\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Structural properties, magnetism and reactivity of Ni13-x<\/sub>Fex<\/sub> nanoalloys.<\/strong>
\nAuthors: G. Vinuesa, R. H. Aguilera-del-Toro, and A. Vega
\nSource: Journal of Magnetism and Magnetic Materials 524, 167636 (2021).
\nDOI: 10.1016\/j.jmmm.2020.167636<\/a>
\n<\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Relation between structural patterns and magnetism in small iron oxide clusters: reentrance of
\nthe magnetic moment at high oxidation ratios.<\/strong>
\nAuthors: R. H. Aguilera-del-Toro, F. Aguilera-Granja, M. B. Torres, and A. Vega
\nSource: Physical Chemistry Chemical Physics 23, 246-272 (2021)..
\nDOI: 10.1039\/D0CP03795He<\/a>
\n<\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Methane storage in nanoporous carbons.<\/strong>
\nAuthors: Iv\u00e1n Cabria, Fabi\u00e1n Su\u00e1rez-Garc\u00eda, Luis F. Mazadiego, and Marcelo F. Ortega
\nSource: 21st Century Nanoscience \u2013 A Handbook: Low-Dimensional Materials and Morphologies (Volume Four), Cap. 23, P. 1-14.
\nEd: K. D. Sattler
\nCRC Press, Boca Rat\u00f3n, 2020.
\nISBN\/ISSN: 9780815355281
\nDOI: 10.1201\/9780429347290<\/a>
\n<\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Incorporating charge transfer effects into a metallic empirical potential for accurate structure
\n determination in (ZnMg)N<\/sub> nanoalloys.<\/strong>
\nAuthors: P. Alvarez-Zapatero, A. Vega, and A. Aguado
\nSource: Nanoscale 12, 20432-20448 (2020).
\nDOI: 10.1039\/d0nr04505e<\/a>
\n<\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Tuning the magnetic moment of small late 3d-transition-metal oxide clusters by selectively
\n mixing the transition-metal constituents.<\/strong>
\nAuthors: R.H. Aguilera-del-Toro, M.B. Torres, F. Aguilera-Granja, and A. Vega
\nSource: Nanomaterials 10, 1814-1-22 (2020).
\nDOI: 10.3390\/nano10091814<\/a>
\n<\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Simulations of volumetric hydrogen storage capacities of nanoporous carbons: Effect of dispersion interactions as a function of pressure, temperature and pore width.<\/strong>
\nAuthor: I. Cabria
\nSource: International Journal of Hydrogen Energy 45, 5697- 5709 (2020).
\nDOI: 10.1016\/j.ijhydene.2019.03.071<\/a>
\n<\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Borophene vs. graphene interfaces: tuning the electric double layer in ionic liquid.<\/strong>
\nAuthors: V. G\u00f3mez-Gonz\u00e1lez, J.M. Otero-Mato, H. Montes-Campos, X. Garc\u00eda-Andrade, A. Garc\u00eda-Fuente, A. Vega, J. Carrete, O. Cabeza, L.J. Gallego, L.M. Varela
\nSource: Journal of Molecular Liquids 303, 112647-1-8 (2020).
\nDOI: 10.1016\/j.molliq.2020.112647<\/a>
\n<\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Depth-dependent Dynamics of Liquid Metal Surfaces with First Principles Simulations.<\/strong>
\nAuthors: B. G. del Rio and L. E. Gonz\u00e1lez
\nSource: Acta Materialia 198, 281-289 (2020).
\nDOI: 10.1016\/j.actamat.2020.07.071<\/a>
\n<\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Neutron Brillouin scattering and ab initio simulation study of the collective dynamics of liquid silver.<\/strong>
\nAuthors: E. Guarini, A. De Francesco, U. Bafile, A. Laloni, B.G. del Rio, D. J. Gonzalez, L. E. Gonzalez, F. Barocchi, F. Formisano
\nSource: Physical Review B 102, 054210 (2020)
\nDOI: 10.1103\/PhysRevB.102.054210<\/a>
\n<\/h4><\/td>\n<\/tr>\n

<\/td>

Title: First principles study of liquid uranium at temperatures up to 2050 K.<\/strong>
\nAuthors: B. G. del Rio, L. E. Gonz\u00e1lez, and D. J. Gonz\u00e1lez
\nSource: Journal of Physics: Condensed Matter 32, 304001 (2020).
\nDOI: 10.1088\/1361-648X\/ab7f6f<\/a>
\n<\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Structure and dynamics of the liquid 3d transition metals near melting. An ab initio study.<\/strong>
\nAuthors: B. G. del Rio, C. Pascual, L. E. Gonz\u00e1lez, and D. J. Gonz\u00e1lez
\nSource: J. Phys.: Condens. Matter 32, 214005 (2020)
\nDOI: 10.1088\/1361-648X\/ab6f16<\/a>
\n<\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Properties of bulk liquid Pd and Pt and their free liquid surface studied with first principles techniques.<\/strong>
\nAuthors: B. G. del Rio, L. E. Gonz\u00e1lez, and D. J. Gonz\u00e1lez
\nSource: Model. Simul. Mater. Sci. Eng. 28, 045002 (2020)
\nDOI: 10.1088\/1361-651X\/ab7e38<\/a>
\n<\/h4><\/td>\n<\/tr>\n

<\/td>

Title: First principles determination of some static and dynamic properties of the liquid 3d transition metals near melting.<\/strong>
\nAuthor(s): B.G. del Rio, C. Pascual, O. Rodriguez, L.E. Gonz\u00e1lez and D.J. Gonz\u00e1lez
\nSource: Condensed Matter Physics 23, 23606 (2020)
\nDOI: 10.5488\/CMP.23.23606<\/a>
\n<\/h4>
\n <\/td>\n<\/tr>\n

<\/td>

Title: Hydrogen Chemisorption on Doubly Vanadium Doped Aluminum Clusters.<\/strong>
\nAuthors: J. Vanbuel, E. M. Fern\u00e1ndez, M. Jia, P. Ferrari, W. Sch\u00f6llkopf, L. C. Balb\u00e1s, M. T. Nguyen, A Fielicke and E. Janssens
\nSource: Z. Phys. Chem. 233, 799-812 (2019)
\nDOI: 10.1515\/zpch-2019-1395<\/a>
\n<\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Study of odd-even effects in physisorption and chemisorption of Ar, N2<\/sub> , O2<\/sub> and NO on open shell Ag11-13<\/sub>+<\/sup> clusters by means of self-consistent van der Waals density functional calculations.<\/strong>
\nAuthors: Eva M. Fern\u00e1ndez and Luis C. Balb\u00e1s
\nSource: Phys. Chem. Chem. Phys. 21, 25158-25174 (2019)
\nDOI: 10.1039\/c9cp04865k<\/a>
\n<\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Structural and electronic rearrangements in Fe2<\/sub>S2<\/sub>, Fe3<\/sub>S4<\/sub> and Fe4<\/sub>S4<\/sub> atomic clusters under the
\n attack of NO, CO and O2<\/sub>.<\/strong>
\nAuthors: F. Amitouche, F. Saad, S. Tazibt, S. Bouarab, and A. Vega
\nSource: Journal of Physical Chemistry A 123, 10919-10929 (2019).
\nDOI: 10.1021\/acs.jpca.9b08201<\/a>
\n<\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Tunable gap in arsenene nanoribbons opens the door to electronic aplications.<\/strong>
\nAuthors: A. Garc\u00eda Fuente, J. Carrete, A. Vega, and L.J. Gallego
\nSource: RSC Advances 9, 11818-11823 (2019).
\nDOI: 10.1039\/c9ra00975b<\/a>
\n<\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Computational characterisation of structure and metallicity in small neutral and singly-charged cadmium clusters.<\/strong>
\nAuthors: P. \u00c1lvarez-Zapatero and A. Aguado
\nSource: Phys. Chem. Chem. Phys. 21, 12321-12334 (2019).
\nDOI: 10.1039\/c9cp01814j<\/a>
\n<\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Uncovering the magnetic properties of the Agx<\/sub>Niy<\/sub> (x+y=55) nanoalloys in the whole composition range.<\/strong>
\nAuthors: R.H. Aguilera-del-Toro, P.G. Alvarado-Leyva, and A. Vega
\nSource: Journal of Magnetism and Magnetic Materials 474, 551-562 (2019)
\nDOI: 10.1016\/j.jmmm.2018.11.056<\/a>
\n<\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Li-decorated Pmmn8 phase of borophene for hydrogen storage. A Van der Waals corrected density-functional theory study.<\/strong>
\nAuthors: A. Lebon, R.H. Aguilera-del-Toro, L.J. Gallego, A. Vega
\nSource: International Journal of Hydrogen Energy 44, 1021-1033 (2019).
\nDOI: 10.1016\/j.ijhydene.2018.10.241<\/a>
\n<\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Are zinc clusters really amorphous? A detailed protocol for locating global minimum structures of clusters.<\/strong>
\nAuthors: Andr\u00e9s Aguado, Andr\u00e9s Vega, Alexandre Lebon, and Bernd von Issendorff
\nSource: Nanoscale 10, 19162-19181 (2018).
\nDOI: 10.1039\/c8nr05517c<\/a>
\n<\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Density functional study of charge transfer at the graphene\/ionic-liquid interface.<\/strong>
\nAuthors: V. G\u00f3mez-Gonz\u00e1lez, A. Garc\u00eda-Fuente, A. Vega, J. Carrete, O. Cabeza, L.J. Gallego, and L.M. Varela
\nSource: Journal of Physical Chemistry C 122, 15070-15077 (2018).
\nDOI: 10.1021\/acs.jpcc.8b02795<\/a>
\n<\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Properties Design: Prediction and Experimental Validation of the Luminiscence Properties of a New Eu(II)-based Phosphor.<\/strong>
\nAuthors: A. Garc\u00eda-Fuente, F. Baur, F. Cimpoesu, A. Vega, T. J\u00fcstel, W. Urland
\nSource: Chemistry - A European Journal 24, 16276-16281 (2018).
\nDOI: 10.1002\/chem.201804479<\/a>
\n<\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Unveiling the effects of doping small nickel clusters with a sulfur impurity.<\/strong>
\nAuthors: A. Chikhaoui, M. Ziane, S. Tazibt, S. Bouarab, and A. Vega
\nSource: Theoretical Chemistry Accounts 137, 130-1-10 (2018).
\nDOI: 10.1007\/s00214-018-2320-2<\/a>
\n<\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Structure, fragmentation patterns, and electronic properties of small indium oxide clusters.<\/strong>
\nAuthors: R.H. Aguilera-del-Toro, F. Aguilera-Granja, L.C. Balb\u00e1s and A. Vega
\nSource: Theoretical Chemistry Accounts 137, 54-1-17 (2018).
\nDOI: 10.1007\/s00214-018-2231-2<\/a>
\n<\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Orbital-free density functional theory simulation of collective dynamics coupling in liquid Sn.<\/strong>
\nAuthors: B.G. del Rio, M. Chen, L.E. Gonz\u00e1lez and E.A. Carter
\nSource: Journal of Chemical Physics 149, 094504 (2018).
\nDOI: 10.1063\/1.5040697<\/a>
\n<\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Density functional study of the optical response of FeN and CoN nitrides with zinc-blend and rock-salt structures.<\/strong>
\nAuthor(s): Cheballah, Y.; Ziane, A.; Bouarab, S.; et al.
\nSource: Journal of Physics and Chemistry of Solids Volume: 100 Pages: 148-153 Published: 2017
\nDOI: 10.1016\/j.jpcs.2016.09.016<\/a><\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Impact of S doping on the structural, electronic and magnetic properties of Crn<\/sub> (n=2-6) clusters.<\/strong>
\nAuthor(s): Mecheref, Rachid; Bouarab, Said; Zemirli, Mourad; et al.
\nSource: European Physical Journal D Volume: 71 Issue: 4 Published: 2017
\nDOI: 10.1140\/epjd\/e2017-70587-x<\/a><\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Predicting photon cascade emission in Pr3<\/sup>+ doped fluorides.<\/strong>
\nAuthor(s): Garcia-Fuente, Amador; Vega, Andres
\nSource: Physical Chemistry Chemical Physics Volume: 19 Issue: 23 Pages: 15503-15511 Published: 2017
\nDOI: 10.1039\/c7cp02786a<\/a><\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Structural, Electronic, and Magnetic Properties of Iron Disulfide Fen<\/sub>S2<\/sub>0\/+\/-<\/sup> (n=1-6) Clusters.<\/strong>
\nAuthor(s): Tazibt, S.; Chilthaoui, A.; Bouarab, S.; et al.
\nSource: Journal of Physical Chemistry a Volume: 121 Issue: 19 Pages: 3768-3780 Published: MAY 18 2017
\nDOI: 10.1021\/acs.jpca.7b00942<\/a><\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Structure, fragmentation patterns, and magnetic properties of small nickel oxide clusters.<\/strong>
\nAuthor(s): Aguilera-del-Toro, R. H.; Aguilera-Granja, F.; Balbas, L. C.; et al.
\nSource: Physical Chemistry Chemical Physics Volume: 19 Issue: 4 Pages: 3366-3383 Published: 2017
\nDOI: 10.1039\/c6cp06225c<\/a><\/h4><\/td>\n<\/tr>\n

<\/td>

Title: What will freestanding borophene nanoribbons look like? An analysis of their possible structures, magnetism and transport properties.<\/strong>
\nAuthor(s): Garcia-Fuente, A.; Carrete, J.; Vega, A.; et al.
\nSource: Physical Chemistry Chemical Physics Volume: 19 Issue: 2 Pages: 1054-1061 Published: 2017
\nDOI: 10.1039\/c6cp07432d<\/a><\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Hydrogen chemisorption on single vanadium doped aluminum clusters.<\/strong>
\nAuthor(s): Valbuel, J.; Fern\u00e1ndez, E. M.; Ferrari, P.; Gewinner, S.; Schk\u00f6lhopf, W.; Balb\u00e1s, L. C.; Fielicke, A.; Janssens, E.
\nSource: Chem. Eur. J. Volume: 23 Pages: 15638-15643 Published: 2017
\nDOI: 10.1002\/chem.201704361<\/a><\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Nanoscale reactivity of Znx<\/sub>Mg20-x<\/sub> investigated by structural and electronic indicators.<\/strong>
\nAuthor(s): Lebon, A.; Aguado, A.; Vega, A.
\nSource: Corrosion Science Volume: 124 Pages: 35-45 Published: 2017
\nDOI: 10.1016\/j.corsci.2017.04.022<\/a><\/h4><\/td>\n<\/tr>\n

<\/td>

Title: First principles determination of static, dynamic and electronic properties of liquid Ti near melting.<\/strong>
\nAuthors: del Rio, B. G.; Rodriguez, O.; Gonzalez, L. E.; et al.
\nSource: COMPUTATIONAL MATERIALS SCIENCE Volume: \u200f 139 Pages: \u200f 243-251 Published: \u200f 2017
\nDOI: 10.1016\/j.commatsci.2017.07.027<\/a><\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Local order and dynamic properties of liquid Agx<\/sub>-Sn1-x<\/sub> alloys by ab initio molecular dynamics.<\/strong>
\nAuthors: del Rio, B. G.; Calderin, L.; Gonzalez, L. E.; et al.
\nSource: JOURNAL OF NON-CRYSTALLINE SOLIDS Volume: \u200f 473 Pages: \u200f 179-187 Published: \u200f 2017
\nDOI: 10.1016\/j.jnoncrysol.2017.08.008<\/a><\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Longitudinal, transverse, and single-particle dynamics in liquid Zn: Ab initio study and theoretical analysis.<\/strong>
\nAuthors: del Rio, B. G.; Gonzalez, L. E.
\nSource: PHYSICAL REVIEW B Volume: \u200f 95 Article Number: 224201 Published: \u200f 2017
\nDOI: 10.1103\/PhysRevB.95.224201<\/a><\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Ab initio study of several static and dynamic properties of bulk liquid Ni near melting.<\/strong>
\nAuthors: del Rio, B. G.; Gonzalez, L. E.; Gonzalez, D. J.
\nSource: JOURNAL OF CHEMICAL PHYSICS Volume: \u200f 146 Article Number: 034501 Published: \u200f 2017
\nDOI: 10.1063\/1.4973803<\/a><\/h4><\/td>\n<\/tr>\n

<\/td>

Title: New structural and electronic properties of (TiO2<\/sub>)10<\/sub>.<\/strong>
\nAuthor(s): Aguilera-Granja, F.; Vega, A.; Balbas, L. C.
\nSource: Journal of Chemical Physics Volume: 144 Issue: 23 Published: 2016
\nDOI: 10.1063\/1.4954060<\/a><\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Spin-polarized transport in hydrogen-passivated graphene and silicene nanoribbons with magnetic transition-metal substituents.<\/strong>
\nAuthor(s): Garcia-Fuente, A.; Gallego, L. J.; Vega, A.
\nSource: Physical Chemistry Chemical Physics Volume: 18 Issue: 32 Pages: 22606-22616 Published: 2016
\nDOI: 10.1039\/c6cp02961b<\/a><\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Nanoparticles: Neither solid nor liquid.<\/strong>
\nAuthor(s): Aguado, A
\nSource: Nature Materials Volume: 15 Issue: 9 Pages: 931--933 Published: 2016
\nDOI: 10.1038\/nmat4702<\/a><\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Multiple adsorption of molecular oxygen on small Au\/Pd cationic clusters at finite temperature. A van der Waals density functional study.<\/strong>
\nAuthor(s): Fern\u00e1ndez , E. M.; Balb\u00e1s, L. C.
\nSource: THE JOURNAL OF CHEMICAL PHYSICS Volume: 144 Pages: 224308 Published: 2016
\nDOI: 10.1063\/1.4953556<\/a><\/h4><\/td>\n<\/tr>\n

<\/td>

Title: An ab initio study of the structure and atomic transport in bulk liquid Ag and its liquid-vapor interface.<\/strong>
\nAuthors: del Rio, Beatriz G.; Gonzalez, David J.; Gonzalez, Luis E.
\nSource: PHYSICS OF FLUIDS Volume: \u200f 28 Article Number: 107105 Published: \u200f2016
\nDOI: 10.1063\/1.4966656<\/a><\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Structure and dynamics of high-pressure Na close to the melting line: An ab initio molecular dynamics study.<\/strong>
\nAuthors: Marques, M.; Gonzalez, D. J.; Gonzalez, L. E.
\nSource: PHYSICAL REVIEW B Volume: \u200f 94 Article Number: 024204 Published: \u200f 2016
\nDOI: 10.1103\/PhysRevB.94.024204<\/a><\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Pressure-induced changes in structural and dynamic properties of liquid Fe close to the melting line. An ab initio study.<\/strong>
\nAuthors: Marques, Miriam; Gonzalez, Luis E.; Gonzalez, David J.
\nSource: JOURNAL OF PHYSICS-CONDENSED MATTER Volume: \u200f 28 Article Number: 075101 Published: \u200f 2016
\nDOI: 10.1088\/0953-8984\/28\/7\/075101<\/a><\/h4><\/td>\n<\/tr>\n

<\/td>

Title: A new magnetic superatom: Cr@Zn17<\/sub>.<\/strong>
\nAuthor(s): Lebon, Alexandre; Aguado, Andres; Vega, Andres
\nSource: Physical Chemistry Chemical Physics Volume: 17 Issue: 42 Pages: 28033-28043 Published: 2015
\nDOI: 10.1039\/c4cp03753g<\/a><\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Insulating or Metallic: Coexistence of Different Electronic Phases in Zinc Clusters.<\/strong>
\nAuthor(s): Aguado, Andres; Vega, Andres; Lebon, Alexandre; et al.
\nSource: Angewandte Chemie-International Edition Volume: 54 Issue: 7 Pages: 2111-2115 Published: FEB 9 2015
\nDOI: 10.1002\/anie.201409835<\/a><\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Spin currents and filtering behavior in zigzag graphene nanoribbons with adsorbed molybdenum chains.<\/strong>
\nAuthor(s): Garcia-Fuente, A.; Gallego, L. J.; Vega, A.
\nSource: Journal of Physics-Condensed Matter Volume: 27 Issue: 13 Published: 2015
\nDOI: 10.1088\/0953-8984\/27\/13\/135301<\/a><\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Structural, Magnetic, and Vibrational Properties of Stoichiometric Clusters of CrN.<\/strong>
\nAuthor(s): Aguilera-Granja, Faustino; Carrete, Jesus; Vega, Andres; et al.
\nSource: International Journal of Quantum Chemistry Volume: 115 Issue: 8 Pages: 523-528 Published: 2015
\nDOI: 10.1002\/qua.24883<\/a><\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Structural, Vibrational, and Magnetic Properties of FeCoOn<\/sub>0\/+<\/sup> (n=1-6) Bimetallic Oxide Clusters.<\/strong>
\nAuthor(s): Torres, M. B.; Aguado, A.; Aguilera-Granja, F.; et al.
\nSource: Journal of Physical Chemistry C Volume: 119 Issue: 20 Pages: 11200-11209 Published: 2015
\nDOI: 10.1021\/jp5121349<\/a><\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Ti-decorated zigzag graphene nanoribbons for hydrogen storage. A van der Waals-corrected density-functional study.<\/strong>
\nAuthor(s): Lebon, A.; Carrete, J.; Gallego, L. J.; et al.
\nSource: International Journal of Hydrogen Energy Volume: 40 Issue: 14 Pages: 4960-4968 Published: APR 20 2015
\nDOI: 10.1016\/j.ijhydene.2014.12.134<\/a><\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Zn17<\/sub> Superatom Cage Doped with 3d Transition-Metal (TM) Impurities (TM = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, and Cu).<\/strong>
\nAuthor(s): Lebon, Alexandre; Aguado, Andres; Vega, Andres
\nSource: Journal of Physical Chemistry C Volume: 119 Issue: 49 Pages: 27838-27847 Published: DEC 10 2015
\nDOI: 10.1021\/acs.jpcc.5b08837<\/a><\/h4><\/td>\n<\/tr>\n

<\/td>

Title: Ab initio study of the structure and dynamics of bulk liquid Fe.<\/strong>
\nAuthors: Marques, M.; Gonzalez, L. E.; Gonzalez, D. J.
\nSource: PHYSICAL REVIEW B Volume: \u200f 9 Article Number: 134203 Published: \u200f 2015
\nDOI: 10.1103\/PhysRevB.92.134203<\/a>
\n<\/h4><\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n<\/h4>\n

<\/h4>\n

PUBLICACIONES ANTERIORES (2009-2014)<\/h4>\n

Title: Ligand field density functional theory for the prediction of future domestic lighting.<\/strong>
\nAuthor(s): Ramanantoanina, Harry; Urland, Werner; Garcia-Fuente, Amador; et al.
\nSource: Physical Chemistry Chemical Physics Volume: 16 Pages: 14625-14634 Published: 2014
\nDOI:\u00a010.1039\/c3cp55521f<\/a><\/h4>\n

Title: Mixtures of protic ionic liquids and molecular cosolvents: A molecular dynamics simulation.<\/strong>
\nAuthor(s): Docampo-Alvarez, B.; Gomez-Gonzalez, V.; Mendez-Morales, T.; et al.
\nSource: Journal of Chemical Physics Volume: 140 Published: 2014
\nDOI:\u00a010.1063\/1.4879660<\/a><\/h4>\n

Title: Molecular dynamics simulations of the structure of the grapheneionic liquid\/alkali salt mixtures interface.<\/strong>
\nAuthor(s): Mendez-Morales, Trinidad; Carrete, Jesus; Perez-Rodriguez, Martin; et al.
\nSource: Physical Chemistry Chemical Physics Volume: 16 Issue: 26
\nPages: 13271-13278 Published: 2014
\nDOI:\u00a010.1039\/c4cp00918e<\/a><\/h4>\n

Title: Orbital free ab initio simulations of liquid alkaline earth metals: from pseudopotential construction to structural and dynamic properties.<\/strong>
\nAuthor(s): del Rio, Beatriz G.; Gonzalez, Luis E.
\nSource: Journal of Physics-Condensed Matter Volume: 26 Issue: 46 Published: 2014
\nDOI:\u00a010.1088\/0953-8984\/26\/46\/465102<\/a><\/h4>\n

Title: Solvation of Lithium Salts in Protic Ionic Liquids: A Molecular Dynamics Study.<\/strong>
\nAuthor(s): Mendez-Morales, Trinidad; Carrete, Jesus; Cabeza, Oscar; et al.
\nSource: Journal of Physical Chemistry B Volume: 118 Pages: 761-770 Published: 2014
\nDOI:\u00a010.1021\/jp410090f<\/a><\/h4>\n

Title: Spin-dependent electronic conduction along zigzag graphene nanoribbons bearing adsorbed Ni and Fe nanostructures.<\/strong>
\nAuthor(s): Garcia-Fuente, A.; Gallego, L. J.; Vega, A.
\nSource: Journal of Physics-Condensed Matter Volume: 26 Issue: 16 Published: 2014
\nDOI:\u00a010.1088\/0953-8984\/26\/16\/165302<\/a><\/h4>\n

Title: Spin-orbit effects on the structural, homotop, and magnetic configurations of small pure and Fe-doped Pt clusters.<\/strong>
\nAuthor(s): Alvarado-Leyva, P. G.; Aguilera-Granja, F.; Garcia-Fuente, A.; et al.
\nSource: Journal of Nanoparticle Research Volume: 16 Issue: 2 Published: 2014
\nDOI:\u00a010.1007\/s11051-013-2222-0<\/a><\/h4>\n

Title: Structural and Electronic Properties of TMn<\/sub>\u00a0(BN)(3<\/sub>)H-6<\/sub>\u00a0(m<\/sub>) Complexes with TM = Co (n, m=1-3) and with TM = Fe, Ni, Ru, Rh, Pd (n = m=1-3).<\/strong>
\nAuthor(s): Aguilera-Granja, F.; Aguilera-del-Toro, R. H.; Vega, A.; et al.
\nSource: Journal of Physical Chemistry A Volume: 118 Issue: 16 Pages: 2976-2983 Published: 2014
\nDOI:\u00a010.1021\/jp500191v<\/a><\/h4>\n

Title: Structure, fragmentation patterns, and magnetic properties of small cobalt oxide clusters.<\/strong>
\nAuthor(s): Aguilera-del-Toro, R. H.; Aguilera-Granja, F.; Vega, A.; et al.
\nSource: Physical Chemistry Chemical Physics Volume: 16 Issue: 39 Pages: 21732-21741 Published: 2014
\nDOI:\u00a010.1039\/c4cp03370a<\/a><\/h4>\n

Title: Titanium embedded cage structure formation in Aln<\/sub>Ti+<\/sup>\u00a0clusters and their interaction with Ar.<\/strong>
\nAuthor(s): Torres, M. B.; Vega, A.; Aguilera-Granja, F.; et al.
\nSource: Journal of Chemical Physics Volume: 140 Issue: 17 Published: 2014
\nDOI:\u00a010.1063\/1.4873436<\/a><\/h4>\n

Title: A new family of star-like icosahedral structures for small cobalt clusters.<\/strong>
\nAuthor(s): Aguilera-Granja, F.; Vega, Andres; Carlos Balbas, Luis
\nSource: Chemical Physics Volume: 415 Pages: 106-111 Published: 2013
\nDOI:\u00a010.1016\/j.chemphys.2012.12.037<\/a><\/h4>\n

Title: Ab initio molecular dynamics study of the free surface of liquid Hg.<\/strong>
\nAuthor(s): Calderin, L.; Gonzalez, L. E.; Gonzalez, D. J.
\nSource: Physical Review B Volume: 87 Issue: 1 Published: 2013
\nDOI:\u00a010.1103\/PhysRevB.87.014201<\/a><\/h4>\n

Title: Adsorption of H, H-2<\/sub>, and H2<\/sub>O inside and outside of (M@Si16<\/sub>F)(6<\/sub>) tubelike aggregates and wires (M = V, Ta). A first principles study.<\/strong>
\nAuthor(s): Cantera-Lopez, Homero; Fernandez, Eva M.; Carlos Balbas, Luis; et al.
\nSource: Materials Chemistry and Physics Volume: 139 Issue: 1 Pages: 247-255 Published: 2013
\nDOI:\u00a010.1016\/j.matchemphys.2013.01.031<\/a><\/h4>\n

Title: An ab initio study of the structure and dynamics of bulk liquid Cd and its liquid-vapor interface.<\/strong>
\nAuthor(s): Calderin, L.; Gonzalez, L. E.; Gonzalez, D. J.
\nSource: Journal of Physics-Condensed Matter Volume: 25 Issue: 6 Published: 2013
\nDOI:\u00a010.1088\/0953-8984\/25\/6\/065102<\/a><\/h4>\n

Title: Antiferromagnetic-like coupling in the cationic iron cluster of thirteen atoms.<\/strong>
\nAuthor(s): Alvarado-Leyva, P. G.; Aguilera-Granja, F.; Balbas, L. C.; et al.
\nSource: Physical Chemistry Chemical Physics Volume: 15 Issue: 34 Pages: 14458-14464 Published: 2013
\nDOI:\u00a010.1039\/c3cp51377g<\/a><\/h4>\n

Title: Density functional study of ternary Fex<\/sub>Coy<\/sub>\u00a0Ni-z<\/sub>\u00a0(x plus y plus z=7) clusters.<\/strong>
\nAuthor(s): Guzman-Ramirez, Gregorio; Salvador, Pedro; Robles, Juvencio; et al.
\nSource: Theoretical Chemistry Accounts Volume: 132 Issue: 2 Published: 2013
\nDOI:\u00a010.1007\/s00214-012-1318-4<\/a><\/h4>\n

Title: Doping efficiency in n-type InP nanowires.<\/strong>
\nAuthor(s): Besteiro, L. V.; Tortajada, L.; Souto, J.; et al.
\nSource: Physical Review B Volume: 88 Published: 2013
\nDOI:\u00a010.1103\/PhysRevB.88.115310<\/a><\/h4>\n

Title: Electronic properties of pure and p-type doped hexagonal sheets and zigzag nanoribbons of InP.<\/strong>
\nAuthor(s): Longo, R. C.; Carrete, J.; Alemany, M. M. G.; et al.
\nSource: Journal of Physics-Condensed Matter Volume: 25 Published: 2013
\nDOI:\u00a010.1088\/0953-8984\/25\/8\/085506<\/a><\/h4>\n

Title: Electronic Shell and Dynamical Coexistence Effects in the Melting of Aluminum Clusters: An Interpretation of the Calorimetric Experiments Through Computer Simulation.<\/strong>
\nAuthor(s): Aguado, Andres; Lopez, Jose M.
\nSource: Journal of Physical Chemistry Letters Volume: 4 Issue: 14 Pages: 2397-2403 Published: 2013
\nDOI:\u00a010.1021\/jz401218u<\/a><\/h4>\n

Title: MD Simulations of the Formation of Stable Clusters in Mixtures of Alkaline Salts and Imidazolium-Based Ionic Liquids.<\/strong>
\nAuthor(s): M\u00e9ndez-Morales, Trinidad; Carrete, Jes\u00fas; Bouz\u00f3n-Capelo, Silvia; et al.
\nSource: The Journal of Physical Chemistry B Volume: 117 Issue: 11 Pages: 3207-3220 Published: 2013
\nDOI:\u00a010.1021\/jp312669r<\/a><\/h4>\n

Title: Molecular hydrogen uptake by zigzag graphene nanoribbons doped with early 3d transition-metal atoms.<\/strong>
\nAuthor(s): Lebon, A.; Carrete, J.; Longo, R. C.; et al.
\nSource: International Journal of Hydrogen Energy Volume: 38 Issue: 21 Pages: 8872-8880 Published: 2013
\nDOI:\u00a010.1016\/j.ijhydene.2013.05.018<\/a><\/h4>\n

Title: Static structure, microscopic dynamics and electronic properties of the liquid Bi-Li alloy. An ab initio molecular dynamics study.<\/strong>
\nAuthor(s): Souto, J.; Alemany, M. M. G.; Gallego, L. J.; et al.
\nSource: Modelling and Simulation in Materials Science and Engineering Volume: 21 Issue: 7 Published: 2013
\nDOI:\u00a010.1088\/0965-0393\/21\/7\/075006<\/a><\/h4>\n

Title: Structural and electronic properties of Ni26-p<\/sub>Xp<\/sub>\u00a0clusters (X = Pd, Pt): A density-functional-theoretic study<\/strong>
\nAuthor(s): Aguilera-Granja, F.; Gallego, L. J.
\nSource: Journal of Applied Physics Volume: 114 Published: 2013
\nDOI:\u00a010.1063\/1.4817501<\/a><\/h4>\n

Title: Theoretical study of Aln<\/sub>V+ clusters and their interaction with Ar.<\/strong>
\nAuthor(s): Maria Fernandez, Eva; Vega, Andres; Carlos Balbas, Luis
\nSource: Journal of Chemical Physics Volume: 139 Issue: 21 Published: 2013
\nDOI:\u00a010.1063\/1.4834595<\/a><\/h4>\n

Title: Al enhances the H-2<\/sub>\u00a0storage capacity of graphene at nanoribbon borders but not at central sites: A study using nonlocal van der Waals density functionals.<\/strong>
\nAuthor(s): Carrete, J.; Longo, R. C.; Gallego, L. J.; et al.
\nSource: Physical Review B Volume: 85 Issue: 12 Published: 2012
\nDOI:\u00a010.1103\/PhysRevB.85.125435<\/a><\/h4>\n

Title: Charge and spin transport properties of Mo2<\/sub>X2<\/sub>\u00a0(X = Fe,Co,Ni) molecular contacts.<\/strong>
\nAuthor(s): Garcia-Fuente, A.; Garcia-Suarez, V. M.; Ferrer, J.; et al.
\nSource: Physical Review B Volume: 85 Issue: 22 Published: 2012
\nDOI:\u00a010.1103\/PhysRevB.85.224433<\/a><\/h4>\n

Title: Electronic structure and transport properties of monatomic Fe chains in a vacuum and anchored to a graphene nanoribbon.<\/strong>
\nAuthor(s): Nguyen, N. B.; Garcia-Fuente, A.; Lebon, A.; et al.
\nSource: Journal of Physics-Condensed Matter Volume: 24 Issue: 45 Published: 2012
\nDOI:\u00a010.1088\/0953-8984\/24\/45\/455304<\/a><\/h4>\n

Title: GGA\/PBE study of the spin isomers of Fe-34,Fe-40, Co-23,Co-34, and Co12Cu Clusters with Selected Geometries.<\/strong>
\nAuthor(s): Aguilera-Granja, Faustino; Vega, Andres; Carlos Balbas, Luis Carlos
\nSource: Journal of the Mexican Chemical Society Volume: 56 Issue: 3 Pages: 331-337 Published: 2012<\/h4>\n

Title: Hydrogen Interaction in Pd-Pt Alloy Nanoparticles.<\/strong>
\nAuthor(s): Lebon, A.; Garcia-Fuente, A.; Vega, A.; et al.
\nSource: Journal of Physical Chemistry C Volume: 116 Issue: 1 Pages: 126-133 Published: 2012
\nDOI:\u00a010.1021\/jp207329q<\/a><\/h4>\n

Title: Investigation of the Local Structure of Mixtures of an Ionic Liquid with Polar Molecular Species through Molecular Dynamics: Cluster Formation and Angular Distributions.<\/strong>
\nAuthor(s): Carrete, Jes\u00fas; M\u00e9ndez-Morales, Trinidad; Cabeza, \u00d3scar; et al.
\nSource: The Journal of Physical Chemistry B Volume: 116 Issue: 20 Pages: 5941-5950 Published: 2012
\nDOI:\u00a010.1021\/jp301309s<\/a><\/h4>\n

Title: Magnetization reversal process at atomic scale in systems with itinerant electrons.<\/strong>
\nAuthor(s): Uzdin, V. M.; Vega, A.
\nSource: Journal of Physics-Condensed Matter Volume: 24 Issue: 17 Published: 2012
\nDOI:\u00a010.1088\/0953-8984\/24\/17\/176002<\/a><\/h4>\n

Title: Neutral and charged gallium clusters: structures, physical properties and implications for the melting features.<\/strong>
\nAuthor(s): Nunez, Sara; Lopez, Jose M.; Aguado, Andres
\nSource: Nanoscale Volume: 4 Issue: 20 Pages: 6481-6492 Published: 2012
\nDOI:\u00a010.1039\/c2nr31222k<\/a><\/h4>\n

Title: Noncollinear Fe spin structure in (Sm-Co)\/Fe exchange-spring bilayers: Layer-resolved Fe-57<\/sup>\u00a0Mossbauer spectroscopy and electronic structure calculations.<\/strong>
\nAuthor(s): Uzdin, V. M.; Vega, A.; Khrenov, A.; et al.
\nSource: Physical Review B Volume: 85 Issue: 2 Published: 2012
\nDOI:\u00a010.1103\/PhysRevB.85.024409<\/a><\/h4>\n

Title: Orbital free ab initio molecular dynamics simulation study of some static and dynamic properties of liquid noble metals.<\/strong>
\nAuthor(s): Bhuiyan, G. M.; Gonzalez, L. E.; Gonzalez, D. J.
\nSource: Condensed Matter Physics Volume: 15 Issue: 3 Published: 2012
\nDOI:\u00a010.5488\/cmp.15.33604<\/a><\/h4>\n

Title: Structural, Electronic, and Magnetic Properties Of Con<\/sub>Cum<\/sub>\u00a0Nanoalloys (m plus n=12) from First Principles Calculations.<\/strong>
\nAuthor(s): Aguilera-Granja, F.; Torres, M. B.; Vega, A.; et al.
\nSource: Journal of Physical Chemistry A Volume: 116 Issue: 37 Pages: 9353-9360 Published: 2012
\nDOI:\u00a010.1021\/jp3017997<\/a><\/h4>\n

Title: Thermal Conductivity of Ionic Liquids: A Pseudolattice Approach.<\/strong>
\nAuthor(s): Carrete, J.; Mendez-Morales, T.; Garcia, M.; et al.
\nSource: Journal of Physical Chemistry C Volume: 116 Pages: 1265-1273 Published: 2012
\nDOI:\u00a010.1021\/jp208972t<\/a><\/h4>\n

Title: Ab initio study of 3d, 4d, and 5d transition metal adatoms and dimers adsorbed on hydrogen-passivated zigzag graphene nanoribbons.<\/strong>
\nAuthor(s): Longo, R. C.; Carrete, J.; Gallego, L. J.
\nSource: Physical Review B Volume: 83 Published: 2011
\nDOI:\u00a010.1103\/PhysRevB.83.235415<\/a><\/h4>\n

Title: Ab Initio Study of the Adsorption of NO on the Rh-6<\/sub>(+) Cluster.<\/strong>
\nAuthor(s): Torres, M. B.; Aguilera-Granja, F.; Balbas, L. C.; et al.
\nSource: Journal of Physical Chemistry A Volume: 115 Issue: 30 Pages: 8350-8360 Published: 2011
\nDOI:\u00a010.1021\/jp202511w<\/a><\/h4>\n

Title: An investigation of the local structure and dynamic properties of undercooled liquid silicon using the orbital-free ab-initio molecular dynamics method.<\/strong>
\nAuthor(s): Colakogullari, M.; Dalgic, S.; Gonzalez, L. E.; et al.
\nSource: European Physical Journal-Special Topics Volume: 196 Issue: 1 Pages: 45-52 Published: 2011
\nDOI:\u00a010.1140\/epjst\/e2011-01417-0<\/a><\/h4>\n

Title: Density Functional Study of the Structures and Electronic Properties of Nitrogen-Doped Ni-n<\/sub>\u00a0Clusters, n=1-10.<\/strong>
\nAuthor(s): Chikhaoui, A.; Haddab, K.; Bouarab, S.; et al.
\nSource: Journal of Physical Chemistry A Volume: 115 Issue: 48 Pages: 13997-14005 Published: 2011
\nDOI:\u00a010.1021\/jp207861p<\/a><\/h4>\n

Title: Dynamical Properties of Alcohol + 1-Hexyl-3-methylimidazolium Ionic Liquid Mixtures: A Computer Simulation Study.<\/strong>
\nAuthor(s): M\u00e9ndez-Morales, Trinidad; Carrete, Jes\u00fas; Garc\u00eda, Manuel; et al.
\nSource: The Journal of Physical Chemistry B Volume: 115 Issue: 51 Pages: 15313-15322 Published: 2011
\nDOI:\u00a010.1021\/jp209563b<\/a><\/h4>\n

Title: Expanded fluid mercury in the metal-nonmetal transition range. An ab-initio MD study.<\/strong>
\nAuthor(s): Calderin, L.; Gonzalez, L. E.; Gonzalez, D. J.
\nSource: European Physical Journal-Special Topics Volume: 196 Issue: 1 Pages: 27-34 Published: 2011
\nDOI:\u00a010.1140\/epjst\/e2011-01415-2<\/a><\/h4>\n

Title: First Principles Study of CO Adsorption-CO2<\/sub>\u00a0Desorption Mechanisms on Oxidized Doped-Gold.<\/strong>\u00a0Cationic Clusters MAun<\/sub>Om<\/sub>+(M = Ti, Fe; n=1, 4-7; m=1-2)<\/strong>
\nAuthor(s): Fernandez, Eva M.; Torres, Maria B.; Balbas, Luis C.
\nSource: International Journal of Quantum Chemistry Volume: 111 Issue: 2 Pages: 510-519 Published: 2011
\nDOI:\u00a010.1002\/qua.22667<\/a><\/h4>\n

Title: First-principles calculations of structural and electronic properties of Ta-doped Si clusters, wires, and bulk systems.<\/strong>
\nAuthor(s): Cantera-Lopez, H.; Balbas, L. C.; Borstel, G.
\nSource: Physical Review B Volume: 83 Issue: 7 Published: 2011
\nDOI:\u00a010.1103\/PhysRevB.83.075434<\/a><\/h4>\n

Title: GGA versus van der Waals density functional results for mixed gold\/mercury molecules and pure Au and Hg cluster properties.<\/strong>
\nAuthor(s): Fernandez, Eva M.; Balbas, Luis C.
\nSource: Physical Chemistry Chemical Physics Volume: 13 Issue: 46 Pages: 20863-20870 Published: 2011
\nDOI:\u00a010.1039\/c1cp22455g<\/a><\/h4>\n

Title: Hydrogen insertion in Pd core\/Pt shell cubo-octahedral nanoparticles.<\/strong>
\nAuthor(s): Lebon, A.; Garcia-Fuente, A.; Vega, A.; et al.
\nSource: Physical Review B Volume: 83 Issue: 12 Published: 2011
\nDOI:\u00a010.1103\/PhysRevB.83.125427<\/a><\/h4>\n

Title: Identifying structural and energetic trends in isovalent core-shell nanoalloys as a function of composition and size mismatch.<\/strong>
\nAuthor(s): Aguado, Andres; Lopez, Jose M.
\nSource: Journal of Chemical Physics Volume: 135 Issue: 13 Published: 2011
\nDOI:\u00a010.1063\/1.3645105<\/a><\/h4>\n

Title: Interfacial effects on the magnetic profiles and interlayer exchange coupling of Co\/CoSi multilayers.<\/strong>
\nAuthor(s): Ziane, A.; Bouarab, S.; Demangeat, C.; et al.
\nSource: Thin Solid Films Volume: 520 Issue: 1 Pages: 302-306 Published: 2011
\nDOI:\u00a010.1016\/j.tsf.2011.06.035<\/a><\/h4>\n

Title: Magnetic Cooperative Effects in Small Ni-Ru Clusters.<\/strong>
\nAuthor(s): Aguilera-Granja, F.; Longo, R. C.; Gallego, L. J.; et al.
\nSource: Journal of Physical Chemistry A Volume: 115 Issue: 47 Pages: 13950-13955 Published: 2011
\nDOI:\u00a010.1021\/jp208802e<\/a><\/h4>\n

Title: Magnetism of substitutional Fe impurities in graphene nanoribbons.<\/strong>
\nAuthor(s): Longo, R. C.; Carrete, J.; Gallego, L. J.
\nSource: Journal of Chemical Physics Volume: 134 Published: 2011
\nDOI:\u00a010.1063\/1.3520149<\/a><\/h4>\n

Title: Melting and Freezing of Metal Clusters.<\/strong>
\nAuthor(s): Aguado, Andres; Jarrold, Martin F.
\nSource: Annual Review of Physical Chemistry, Vol 62 Volume: 62 Pages: 151-172 Published: 2011
\nDOI:\u00a010.1146\/annurev-physchem-032210-103454<\/a><\/h4>\n

Title: Molecular Dynamics Simulation of the Structure and Dynamics of Water Alkyl methylimidazolium Ionic Liquid Mixtures.<\/strong>
\nAuthor(s): M\u00e9ndez-Morales, Trinidad; Carrete, Jes\u00fas; Cabeza, \u00d3scar; et al.
\nSource: The Journal of Physical Chemistry B Volume: 115 Issue: 21 Pages: 6995-7008 Published: 2011
\nDOI:\u00a010.1021\/jp202692g<\/a><\/h4>\n

Title: Molecular Dynamics Simulations of the Structural and Thermodynamic Properties of Imidazolium-Based Ionic Liquid Mixtures.<\/strong>
\nAuthor(s): Mendez-Morales, T.; Carrete, J.; Cabeza, O.; et al.
\nSource: Journal of Physical Chemistry B Volume: 115 Pages: 11170-11182 Published: 2011
\nDOI:\u00a010.1021\/jp206341z<\/a><\/h4>\n

Title: Multidimensional nanoscale materials from fused quantum dots.<\/strong>
\nAuthor(s): Tortajada, L.; Besteiro, L. V.; Tiago, M. L.; et al.
\nSource: Physical Review B Volume: 84 Published: 2011
\nDOI:\u00a010.1103\/PhysRevB.84.205326<\/a><\/h4>\n

Title: Orbital free ab initio simulation of surface freezing in a dilute Ga-Tl alloy.<\/strong>
\nAuthor(s): Gonzalez, L. E.; Gonzalez, D. J.
\nSource: European Physical Journal-Special Topics Volume: 196 Issue: 1 Pages: 15-26 Published: 2011
\nDOI:\u00a010.1140\/epjst\/e2011-01414-3<\/a><\/h4>\n

Title: Prediction of phonon thermal transport in thin GaAs, InAs and InP nanowires by molecular dynamics simulations: influence of the interatomic potential.<\/strong>
\nAuthor(s): Carrete, J.; Longo, R. C.; Gallego, L. J.
\nSource: Nanotechnology Volume: 22 Published: 2011
\nDOI:\u00a010.1088\/0957-4484\/22\/18\/185704<\/a><\/h4>\n

Title: Proximity effects on the spin density waves in X\/Cr(001) multilayers (X = Sn, V, and Mn).<\/strong>
\nAuthor(s): Amitouche, F.; Bouarab, S.; Tazibt, S.; et al.
\nSource: Thin Solid Films Volume: 519 Issue: 6 Pages: 2037-2042 Published: 2011
\nDOI:\u00a010.1016\/j.tsf.2010.10.018<\/a><\/h4>\n

Title: Stability, structural, and magnetic phase diagrams of ternary ferromagnetic 3d-transition-metal clusters with five and six atoms.<\/strong>
\nAuthor(s): Guzman-Ramirez, G.; Robles, J.; Vega, A.; et al.
\nSource: Journal of Chemical Physics Volume: 134 Issue: 5 Published: 2011
\nDOI:\u00a010.1063\/1.3533954<\/a><\/h4>\n

Title: Static structure, microscopic dynamics and electronic properties of the liquid Bi-Pb alloy. An ab initio molecular dynamics study.<\/strong>
\nAuthor(s): Souto, J.; Alemany, M. M. G.; Gallego, L. J.; et al.
\nSource: Journal of Nuclear Materials Volume: 411 Issue: 1-3 Pages: 163-170 Published: 2011
\nDOI:\u00a010.1016\/j.jnucmat.2011.01.112<\/a><\/h4>\n

Title: Static, dynamic and electronic properties of expanded fluid mercury in the metal-nonmetal transition range. An ab initio study.<\/strong>
\nAuthor(s): Calderin, L.; Gonzalez, L. E.; Gonzalez, D. J.
\nSource: Journal of Physics-Condensed Matter Volume: 23 Issue: 37 Published: 2011
\nDOI:\u00a010.1088\/0953-8984\/23\/37\/375105<\/a><\/h4>\n

Title: Stepwise Melting in Na-41<\/sub>(+): A First-Principles Critical Analysis of Available Experimental Results.<\/strong>
\nAuthor(s): Aguado, Andres
\nSource: Journal of Physical Chemistry C Volume: 115 Issue: 27 Pages: 13180-13186 Published: 2011
\nDOI:\u00a010.1021\/jp2020484<\/a><\/h4>\n

Title: Structural and zero-point vibrational effects on the electric dipole moments and static dipole polarizabilities of sodium clusters<\/strong>.
\nAuthor(s): Aguado, Andres; Vega, Andres; Balbas, Luis C.
\nSource: Physical Review B Volume: 84 Issue: 16 Published: 2011
\nDOI:\u00a010.1103\/PhysRevB.84.165450<\/a><\/h4>\n

Title: Structure and electronic properties of molybdenum monatomic wires encapsulated in carbon nanotubes.<\/strong>
\nAuthor(s): Garcia-Fuente, A.; Garcia-Suarez, V. M.; Ferrer, J.; et al.
\nSource: Journal of Physics-Condensed Matter Volume: 23 Issue: 26 Published: 2011
\nDOI:\u00a010.1088\/0953-8984\/23\/26\/265302<\/a><\/h4>\n

Title: Study of the Structural and Electronic Properties of Ti@Si-16<\/sub>(n<\/sub>), Sc@Si16<\/sub>K (n<\/sub>), and V@Si16<\/sub>F (n<\/sub>) (n <= 9) Aggregates from First Principles.<\/strong>
\nAuthor(s): Torres, M. B.; Fernandez, E. M.; Balbas, L. C.
\nSource: Journal of Physical Chemistry C Volume: 115 Issue: 2 Pages: 335-350 Published: 2011
\nDOI:\u00a010.1021\/jp1066742<\/a><\/h4>\n

Title: Surface roughness and thermal conductivity of semiconductor nanowires: Going below the Casimir limit.<\/strong>
\nAuthor(s): Carrete, J.; Gallego, L. J.; Varela, L. M.; et al.
\nSource: Physical Review B Volume: 84 Issue: 7 Pages: 075403 Published: 2011
\nDOI:\u00a010.1103\/PhysRevB.84.075403<\/a><\/h4>\n

Title: Theoretical Study of the Structural and Electronic Properties of Aggregates, Wires, and Bulk Phases Formed from M@Si-16<\/sub>\u00a0Superatoms (M = Sc-, Ti, V+<\/sup>).<\/strong>
\nAuthor(s): Torres, M. B.; Fernandez, E. M.; Balbas, L. C.
\nSource: International Journal of Quantum Chemistry Volume: 111 Issue: 2 Pages: 444-462 Published: 2011
\nDOI:\u00a010.1002\/qua.22750<\/a><\/h4>\n

Title: Transverse excitations in liquid Ga.<\/strong>
\nAuthor(s): Hosokawa, S.; Inui, M.; Kajihara, Y.; et al.
\nSource: European Physical Journal-Special Topics Volume: 196 Issue: 1 Pages: 85-93 Published: 2011
\nDOI:\u00a010.1140\/epjst\/e2011-01420-5<\/a><\/h4>\n

Title: Ab initio molecular dynamics study of the static, dynamic, and\u00a0<\/strong>electronic properties of liquid Bi near melting using real-space\u00a0<\/strong>pseudopotentials.<\/strong>
\nAuthor(s): Souto, J.; Alemany, M. M. G.; Gallego, L. J.; et al.
\nSource: Physical Review B Volume: 81 Issue: 13 Published: 2010
\nDOI:\u00a010.1103\/PhysRevB.81.134201<\/a><\/h4>\n

Title: Ab initio study of hydrogen insertion in ultrathin transition metal doped V films: Structural and electronic properties.<\/strong>
\nAuthor(s): Lebon, A.; Vega, A.; Mokrani, A.
\nSource: Physical Review B Volume: 81 Issue: 9 Published: 2010
\nDOI:\u00a010.1103\/PhysRevB.81.094110<\/a><\/h4>\n

Title: Activation of Dinitrogen by Solid and Liquid Aluminum Nanoclusters: A Combined Experimental and Theoretical Study.<\/strong>
\nAuthor(s): Cao, Baopeng; Starace, Anne K.; Judd, Oscar H.; et al.
\nSource: Journal of the American Chemical Society Volume: 132 Issue: 37 Pages: 12906-12918 Published: 2010
\nDOI:\u00a010.1021\/ja103356r<\/a><\/h4>\n

Title: Impact of dimerization and stretching on the transport properties of molybdenum atomic wires.<\/strong>
\nAuthor(s): Garcia-Fuente, A.; Vega, A.; Garcia-Suarez, V. M.; et al.
\nSource: Nanotechnology Volume: 21 Issue: 9 Published: 2010
\nDOI:\u00a010.1088\/0957-4484\/21\/9\/095205<\/a><\/h4>\n

Title: Investigation of fivefold symmetry at the liquid Pb\/Si(001) interface: An ab initio molecular dynamics study.<\/strong>
\nAuthor(s): Souto, J.; Alemany, M. M. G.; Longo, R. C.; et al.
\nSource: Physical Review B Volume: 82 Issue: 13 Published: 2010
\nDOI:\u00a010.1103\/PhysRevB.82.134118<\/a><\/h4>\n

Title: n-type doping via avoiding the stabilization of DX centers in InP quantum dots.<\/strong>
\nAuthor(s): Besteiro, L. V.; Tortajada, L.; Tiago, M. L.; et al.
\nSource: Physical Review B Volume: 81 Published: 2010
\nDOI:\u00a010.1103\/PhysRevB.81.121307<\/a><\/h4>\n

Title: Photoelectron spectroscopy of cold aluminum cluster anions: Comparison with density functional theory results.<\/strong>
\nAuthor(s): Ma, Lei; von Issendorff, Bernd; Aguado, Andres
\nSource: Journal of Chemical Physics Volume: 132 Issue: 10 Published: 2010
\nDOI:\u00a010.1063\/1.3352445<\/a><\/h4>\n

Title: Pseudolattice theory of charge transport in ionic solutions: Corresponding states law for the electric conductivity.<\/strong>
\nAuthor(s): Varela, L. M.; Carrete, J.; Garc\u00c3a, M.; et al.
\nSource: Fluid Phase Equilibria Volume: 298 Issue: 2 Pages: 280-286 Published: 2010
\nDOI:\u00a010.1016\/j.fluid.2010.08.013<\/a><\/h4>\n

Title: Response of magnetically frustrated nanostructures to external magnetic fields: Stepped Cr\/Fe interfaces.<\/strong>
\nAuthor(s): Tan, H.; Martinez, E.; Borstel, G.; et al.
\nSource: Physical Review B Volume: 81 Issue: 17 Published: 2010
\nDOI:\u00a010.1103\/PhysRevB.81.174426<\/a><\/h4>\n

Title: Structural and magnetic properties of X12<\/sub>Y (X, Y=Fe, Co, Ni, Ru, Rh, Pd, and Pt) nanoalloys.<\/strong>
\nAuthor(s): Aguilera-Granja, F.; Longo, R. C.; Gallego, L. J.; et al.
\nSource: Journal of Chemical Physics Volume: 132 Issue: 18 Published: 2010
\nDOI:\u00a010.1063\/1.3427292<\/a><\/h4>\n

Title: Structural, magnetic, and electronic properties of Ni-n<\/sub>\u00a0and Fe-n<\/sub>\u00a0nanostructures (n=1-4) adsorbed on zigzag graphene nanoribbons.<\/strong>
\nAuthor(s): Longo, R. C.; Carrete, J.; Ferrer, J.; et al.
\nSource: Physical Review B Volume: 81 Published: 2010
\nDOI:\u00a010.1103\/PhysRevB.81.115418<\/a><\/h4>\n

Title: Structure determination in 55-atom Li-Na and Na-K nanoalloys.<\/strong>
\nAuthor(s): Aguado, Andres; Lopez, Jose M.
\nSource: Journal of Chemical Physics Volume: 133 Issue: 9 Published: 2010
\nDOI:\u00a010.1063\/1.3479396<\/a><\/h4>\n

Title: Trends in the formation of aggregates and crystals from M@Si-16<\/sub>\u00a0clusters: a study from first principle calculations.<\/strong>
\nAuthor(s): Lopez Laurrabaquio, Guadalupe; Begona Torres, M.; Fernandez, Eva M.; et al.
\nSource: Journal of Mathematical Chemistry Volume: 48 Issue: 1 Pages: 109-117 Published: 2010
\nDOI:\u00a010.1007\/s10910-009-9637-y<\/a><\/h4>\n

Title: A density-functional study of the structures and electronic properties of neutral, anionic, and endohedrally doped Inx<\/sub>Px<\/sub>\u00a0clusters.<\/strong>
\nAuthor(s): Longo, R. C.; Carrete, J.; Aguilera-Granja, F.; et al.
\nSource: Journal of Chemical Physics Volume: 131 Issue: 7 Published: 2009
\nDOI:\u00a010.1063\/1.3206844<\/a><\/h4>\n

Title: A density-functional study of the vertical ionization potentials of the cluster Mn-13<\/sub>.<\/strong>
\nAuthor(s): Longo, R. C.; Carrete, J.; Gallego, L. J.
\nSource: Journal of Chemical Physics Volume: 131 Published: 2009
\nDOI:\u00a010.1063\/1.3190494<\/a><\/h4>\n

Title: Ab initio molecular dynamics study of the static, dynamic, and electronic properties of liquid mercury at room temperature.<\/strong>
\nAuthor(s): Calderin, L.; Gonzalez, L. E.; Gonzalez, D. J.
\nSource: Journal of Chemical Physics Volume: 130 Issue: 19 Published: 2009
\nDOI:\u00a010.1063\/1.3137582<\/a><\/h4>\n

Title: Atomic layering and related postmelting effects in small liquid metal clusters.<\/strong>
\nAuthor(s): Nunez, Sara; Lopez, Jose M.; Aguado, Andres
\nSource: Physical Review B Volume: 79 Issue: 16 Published: 2009
\nDOI:\u00a010.1103\/PhysRevB.79.165429<\/a><\/h4>\n

Title: Computer simulation calculations of the free liquid surface of mercury.<\/strong>
\nAuthor(s): Bomont, J. M.; Bretonnet, J. L.; Gonzalez, D. J.; et al.
\nSource: Physical Review B Volume: 79 Issue: 14 Published: 2009
\nDOI:\u00a010.1103\/PhysRevB.79.144202<\/a><\/h4>\n

Title: Density functional theory based screening of ternary alkalitransition metal borohydrides: A computational material design project.<\/strong>
\nAuthor(s): Hummelshoj, J. S.; Landis, D. D.; Voss, J.; et al.
\nSource: Journal of Chemical Physics Volume: 131 Published: 2009
\nDOI:\u00a010.1063\/1.3148892<\/a><\/h4>\n

Title: Electronic effects on melting: Comparison of aluminum cluster anions and cations.<\/strong>
\nAuthor(s): Starace, Anne K.; Neal, Colleen M.; Cao, Baopeng; et al.
\nSource: Journal of Chemical Physics Volume: 131 Issue: 4 Published: 2009
\nDOI:\u00a010.1063\/1.3157263<\/a><\/h4>\n

Title: First-principles study of the layering at the free liquid Sn surface.<\/strong>
\nAuthor(s): Calderin, L.; Gonzalez, L. E.; Gonzalez, D. J.
\nSource: Physical Review B Volume: 80 Issue: 11 Published: 2009
\nDOI:\u00a010.1103\/PhysRevB.80.115403<\/a><\/h4>\n

Title: Mo4-x<\/sub>Fex<\/sub>\u00a0nanoalloy: Structural transition and electronic structure of interest in spintronics.<\/strong>
\nAuthor(s): Garcia-Fuente, A.; Vega, A.; Aguilera-Granja, F.; et al.
\nSource: Physical Review B Volume: 79 Issue: 18 Published: 2009
\nDOI:\u00a010.1103\/PhysRevB.79.184403<\/a><\/h4>\n

Title: Molecular-dynamics prediction of the thermal conductivity of thin InP nanowires: Similarities to Si.<\/strong>
\nAuthor(s): Carrete, J.; Longo, R. C.; Varela, L. M.; et al.
\nSource: Physical Review B Volume: 80 Issue: 15 Pages: 155408 Published: 2009
\nDOI:\u00a010.1103\/PhysRevB.80.155408<\/a><\/h4>\n

Title: Premelting and Postmelting in Clusters.<\/strong>
\nAuthor(s): Hock, Christian; Bartels, Christof; Strassburg, Samuel; et al.
\nSource: Physical Review Letters Volume: 102 Issue: 4 Published: 2009
\nDOI:\u00a010.1103\/PhysRevLett.102.043401<\/a><\/h4>\n

Title: Response of Mn overlayers on Fe to external magnetic fields: Electronic structure calculations.<\/strong>
\nAuthor(s): Tan, H.; Martinez, E.; Vega, A.; et al.
\nSource: Surface Science Volume: 603 Issue: 16 Pages: 2537-2543 Published: 2009
\nDOI:\u00a010.1016\/j.susc.2009.05.035<\/a><\/h4>\n

Title: Stability, magnetic behavior, and chemical order of (Cox<\/sub>Fe1-x<\/sub>)(N<\/sub>) (N=5,13) nanoalloys.<\/strong>
\nAuthor(s): Aguilera-Granja, F.; Vega, A.
\nSource: Physical Review B Volume: 79 Issue: 14 Published: 2009
\nDOI:\u00a010.1103\/PhysRevB.79.144423<\/a><\/h4>\n

Title: Structural and dynamical properties of liquid Mg. An orbital-free molecular dynamics study.<\/strong>
\nAuthor(s): Sengul, S.; Gonzalez, D. J.; Gonzalez, L. E.
\nSource: Journal of Physics-Condensed Matter Volume: 21 Issue: 11 Published: 2009
\nDOI:\u00a010.1088\/0953-8984\/21\/11\/115106<\/a><\/h4>\n

Title: Structural and electronic properties of oxidized sodiumclusters: A combined photoelectron and density functional study.<\/strong>
\nAuthor(s): Majer, Kiran; Lei, Ma; Hock, Christian; et al.
\nSource: Journal of Chemical Physics Volume: 131 Issue: 20 Published: 2009
\nDOI:\u00a010.1063\/1.3267056<\/a><\/h4>\n

Title: Structure and motion at the liquid-vapor interface of some interalkali binary alloys: An orbital-free ab initio study.<\/strong>
\nAuthor(s): Gonzalez, David J.; Gonzalez, Luis E.
\nSource: Journal of Chemical Physics Volume: 130 Issue: 11 Published: 2009
\nDOI:\u00a010.1063\/1.3089228<\/a><\/h4>\n

Title: Structures and stabilities of Al-n<\/sub>(+<\/sup>), Al-n<\/sub>, and Al-n<\/sub>(-<\/sup>) (n=13-34) clusters.<\/strong>
\nAuthor(s): Aguado, Andres; Lopez, Jose M.
\nSource: Journal of Chemical Physics Volume: 130 Issue: 6 Published: 2009
\nDOI:\u00a010.1063\/1.3075834<\/a><\/h4>\n

Title: Study of the Structural and Electronic Properties of Rh-N<\/sub>\u00a0and Ru-N<\/sub>\u00a0Clusters (N < 20) within the Density Functional Theory.<\/strong>
\nAuthor(s): Aguilera-Granja, F.; Balbas, L. C.; Vega, A.
\nSource: Journal of Physical Chemistry A Volume: 113 Issue: 48 Pages: 13483-13491 Published: 2009
\nDOI:\u00a010.1021\/jp905188t<\/a><\/h4>\n

Title: Tailoring the spin density waves in Fe\/Cr multilayers by selective inclusion of Sn, V and Mn.<\/strong>
\nAuthor(s): Amitouche, F.; Issolah, A.; Bouarab, S.; et al.
\nSource: Surface Science Volume: 603 Issue: 1 Pages: 117-124 Published: 2009
\nDOI:\u00a010.1016\/j.susc.2008.10.038<\/a><\/h4>\n

Title: Theoretical study of the coadsorption of CO and O(2<\/sub>) on doped cationic gold clusters MAu(n<\/sub>)(+<\/sup>) (M = Ti, Fe, Au; n=1, 6, 7).<\/strong>
\nAuthor(s): Fernandez, E. M.; Torres, M. B.; Balbas, L. C.
\nSource: European Physical Journal D Volume: 52 Issue: 1-3 Pages: 135-138 Published: 2009
\nDOI:\u00a010.1140\/epjd\/e2009-00010-4<\/a><\/h4>\n

Title: Transverse Acoustic Excitations in Liquid Ga.<\/strong>
\nAuthor(s): Hosokawa, S.; Inui, M.; Kajihara, Y.; et al.
\nSource: Physical Review Letters Volume: 102 Issue: 10 Published: 2009
\nDOI:\u00a010.1103\/PhysRevLett.102.105502<\/a><\/h4>\n<\/div>\n<\/div><\/div><\/div><\/div><\/div>","protected":false},"excerpt":{"rendered":"

PUBLICACIONES ANTERIORES (2009-2014) Title: Ligand field density functional theory for the prediction of future domestic lighting. Author(s): Ramanantoanina, Harry; Urland, Werner; Garcia-Fuente, Amador; et al. Source: Physical Chemistry Chemical Physics Volume: 16 Pages: 14625-14634 Published: 2014 DOI:\u00a010.1039\/c3cp55521f Title: Mixtures of protic ionic liquids and molecular cosolvents: A molecular dynamics simulation. Author(s): Docampo-Alvarez, B.; Gomez-Gonzalez, V.; Read More<\/a><\/p>\n","protected":false},"author":1,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"template-full-width.php","meta":[],"_links":{"self":[{"href":"http:\/\/metodos.fam.cie.uva.es\/gir\/index.php\/wp-json\/wp\/v2\/pages\/136"}],"collection":[{"href":"http:\/\/metodos.fam.cie.uva.es\/gir\/index.php\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"http:\/\/metodos.fam.cie.uva.es\/gir\/index.php\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"http:\/\/metodos.fam.cie.uva.es\/gir\/index.php\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"http:\/\/metodos.fam.cie.uva.es\/gir\/index.php\/wp-json\/wp\/v2\/comments?post=136"}],"version-history":[{"count":33,"href":"http:\/\/metodos.fam.cie.uva.es\/gir\/index.php\/wp-json\/wp\/v2\/pages\/136\/revisions"}],"predecessor-version":[{"id":475,"href":"http:\/\/metodos.fam.cie.uva.es\/gir\/index.php\/wp-json\/wp\/v2\/pages\/136\/revisions\/475"}],"wp:attachment":[{"href":"http:\/\/metodos.fam.cie.uva.es\/gir\/index.php\/wp-json\/wp\/v2\/media?parent=136"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}