Illas F - Search Results

1

Investigating the character of excited states in TiO₂ nanoparticles from topological descriptors: implications for photocatalysis.

Valero R, Morales-García Á, Illas F. Valero R, et al. Among authors: illas f. Phys Chem Chem Phys. 2020 Feb 7;22(5):3017-3029. doi: 10.1039/c9cp05526f. Epub 2020 Jan 20. Phys Chem Chem Phys. 2020. PMID: 31957776

2

Electric field induced electron transfer at the adsorbate-surface interface. Effect of the type of metal surface.

Migani A, Sousa C, Sanz F, Illas F. Migani A, et al. Among authors: illas f. Phys Chem Chem Phys. 2005 Sep 21;7(18):3353-8. doi: 10.1039/b505481h. Epub 2005 Aug 11. Phys Chem Chem Phys. 2005. PMID: 16240050

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

A unified view of the theoretical description of magnetic coupling in molecular chemistry and solid state physics.

Moreira Ide P, Illas F. Moreira Ide P, et al. Among authors: illas f. Phys Chem Chem Phys. 2006 Apr 14;8(14):1645-59. doi: 10.1039/b515732c. Epub 2006 Feb 13. Phys Chem Chem Phys. 2006. PMID: 16633648

5

Energetics and structures of the initial stages of nucleation of (SiO(2))(N) species: possible routes to highly symmetrical tetrahedral clusters.

Bromley ST, Illas F. Bromley ST, et al. Among authors: illas f. Phys Chem Chem Phys. 2007 Mar 7;9(9):1078-86. doi: 10.1039/b615455g. Epub 2006 Dec 7. Phys Chem Chem Phys. 2007. PMID: 17311150

6

González S, Sousa C, Illas F. González S, et al. Among authors: illas f. Phys Chem Chem Phys. 2007 Jun 14;9(22):2877-85. doi: 10.1039/b701024a. Epub 2007 Apr 10. Phys Chem Chem Phys. 2007. PMID: 17538733

7

Dependence of charge transfer reorganization energy on carrier localisation in organic molecular crystals.

Bromley ST, Illas F, Mas-Torrent M. Bromley ST, et al. Among authors: illas f. Phys Chem Chem Phys. 2008 Jan 7;10(1):121-7. doi: 10.1039/b713688a. Epub 2007 Nov 13. Phys Chem Chem Phys. 2008. PMID: 18075690

8

Performance of the M06 family of exchange-correlation functionals for predicting magnetic coupling in organic and inorganic molecules.

Valero R, Costa R, de P R Moreira I, Truhlar DG, Illas F. Valero R, et al. Among authors: illas f. J Chem Phys. 2008 Mar 21;128(11):114103. doi: 10.1063/1.2838987. J Chem Phys. 2008. PMID: 18361550

9

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

10

Density functional studies of model cerium oxide nanoparticles.

Loschen C, Migani A, Bromley ST, Illas F, Neyman KM. Loschen C, et al. Among authors: illas f. Phys Chem Chem Phys. 2008 Oct 1;10(37):5730-8. doi: 10.1039/b805904g. Epub 2008 Aug 6. Phys Chem Chem Phys. 2008. PMID: 18956108

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