Illas F - Search Results

1

Double-well potential energy surface in the interaction between h-BN and Ni(111).

Ontaneda J , Viñes F , Illas F , Grau-Crespo R . Ontaneda J , et al. Among authors: illas f. Phys Chem Chem Phys. 2019 May 29;21(21):10888-10894. doi: 10.1039/c8cp07880g. Phys Chem Chem Phys. 2019. PMID: 30912534

2

A systematic density functional theory study of the electronic structure of bulk and (001) surface of transition-metals carbides.

Viñes F, Sousa C, Liu P, Rodriguez JA, Illas F. Viñes F, et al. Among authors: illas f. J Chem Phys. 2005 May 1;122(17):174709. doi: 10.1063/1.1888370. J Chem Phys. 2005. PMID: 15910062

3

The interaction of CO2 with sodium-promoted W(011).

Viñes F, Borodin A, Höfft O, Kempter V, Illas F. Viñes F, et al. Among authors: illas f. Phys Chem Chem Phys. 2005 Nov 21;7(22):3866-73. doi: 10.1039/b508748a. Epub 2005 Sep 15. Phys Chem Chem Phys. 2005. PMID: 16358038

4

Role of kinetics in the selective surface oxidations of transition metal carbides.

Zhang YF, Viñes F, Xu YJ, Li Y, Li JQ, Illas F. Zhang YF, et al. Among authors: illas f. J Phys Chem B. 2006 Aug 10;110(31):15454-8. doi: 10.1021/jp0616056. J Phys Chem B. 2006. PMID: 16884267

5

On the mechanism of formation of metal nanowires by self-assembly.

Viñes F, Illas F, Neyman KM. Viñes F, et al. Among authors: illas f. Angew Chem Int Ed Engl. 2007;46(37):7094-7. doi: 10.1002/anie.200701613. Angew Chem Int Ed Engl. 2007. PMID: 17683029 No abstract available.

6

Adsorption of gold on TiC(001): Au-C interactions and charge polarization.

Rodriguez JA, Viñes F, Illas F, Liu P, Takahashi Y, Nakamura K. Rodriguez JA, et al. Among authors: illas f. J Chem Phys. 2007 Dec 7;127(21):211102. doi: 10.1063/1.2814246. J Chem Phys. 2007. PMID: 18067341

7

Density functional calculations of Pd nanoparticles using a plane-wave method.

Viñes F, Illas F, Neyman KM. Viñes F, et al. Among authors: illas f. J Phys Chem A. 2008 Sep 25;112(38):8911-5. doi: 10.1021/jp8014854. Epub 2008 Jun 6. J Phys Chem A. 2008. PMID: 18533637

8

Dissociation of SO2 on Au/TiC(001): effects of Au-C interactions and charge polarization.

Rodriguez JA, Liu P, Viñes F, Illas F, Takahashi Y, Nakamura K. Rodriguez JA, et al. Among authors: illas f. Angew Chem Int Ed Engl. 2008;47(35):6685-9. doi: 10.1002/anie.200801027. Angew Chem Int Ed Engl. 2008. PMID: 18633947 No abstract available.

9

Desulfurization of thiophene on Au/TiC(001): Au-C interactions and charge polarization.

Rodriguez JA, Liu P, Takahashi Y, Nakamura K, Viñes F, Illas F. Rodriguez JA, et al. Among authors: illas f. J Am Chem Soc. 2009 Jun 24;131(24):8595-602. doi: 10.1021/ja901522a. J Am Chem Soc. 2009. PMID: 19530731

10

Adsorption and diffusion of Au atoms on the (001) surface of Ti, Zr, Hf, V, Nb, Ta, and Mo carbides.

Florez E, Viñes F, Rodriguez JA, Illas F. Florez E, et al. Among authors: illas f. J Chem Phys. 2009 Jun 28;130(24):244706. doi: 10.1063/1.3158620. J Chem Phys. 2009. PMID: 19566173

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