Abad E - Search Results

1

Improvement of scanning tunneling microscopy resolution with H-sensitized tips.

Martínez JI, Abad E, González C, Flores F, Ortega J. Martínez JI, et al. Among authors: abad e. Phys Rev Lett. 2012 Jun 15;108(24):246102. doi: 10.1103/PhysRevLett.108.246102. Epub 2012 Jun 13. Phys Rev Lett. 2012. PMID: 23004294 Free article.

2

C6H6/Au(111): interface dipoles, band alignment, charging energy, and van der Waals interaction.

Abad E, Dappe YJ, Martínez JI, Flores F, Ortega J. Abad E, et al. J Chem Phys. 2011 Jan 28;134(4):044701. doi: 10.1063/1.3521271. J Chem Phys. 2011. PMID: 21280779

3

Barrier formation and charging energy for a variable nanogap organic molecular junction: a tip/C60/Au(111) configuration.

Abad E, Martínez JI, Ortega J, Flores F. Abad E, et al. J Phys Condens Matter. 2010 Aug 4;22(30):304007. doi: 10.1088/0953-8984/22/30/304007. Epub 2010 Jul 13. J Phys Condens Matter. 2010. PMID: 21399339

4

Charging energy and barrier height of pentacene on Au(111): a local-orbital hybrid-functional density functional theory approach.

Pieczyrak B, Abad E, Flores F, Ortega J. Pieczyrak B, et al. Among authors: abad e. J Chem Phys. 2011 Aug 28;135(8):084702. doi: 10.1063/1.3626522. J Chem Phys. 2011. PMID: 21895209

5

On the organic energy gap problem.

Flores F, Abad E, Martínez JI, Pieczyrak B, Ortega J. Flores F, et al. Among authors: abad e. J Phys Condens Matter. 2013 Mar 6;25(9):094007. doi: 10.1088/0953-8984/25/9/094007. Epub 2013 Feb 12. J Phys Condens Matter. 2013. PMID: 23400106

6

Calculation of non-adiabatic coupling vectors in a local-orbital basis set.

Abad E, Lewis JP, Zobač V, Hapala P, Jelínek P, Ortega J. Abad E, et al. J Chem Phys. 2013 Apr 21;138(15):154106. doi: 10.1063/1.4801511. J Chem Phys. 2013. PMID: 23614411

7

Tailoring structural and electronic properties of RuO2 nanotubes: a many-body approach and electronic transport.

Martínez JI, Abad E, Calle-Vallejo F, Krowne CM, Alonso JA. Martínez JI, et al. Among authors: abad e. Phys Chem Chem Phys. 2013 Sep 21;15(35):14715-22. doi: 10.1039/c3cp52092g. Phys Chem Chem Phys. 2013. PMID: 23900202

8

Barrier height formation in organic blends/metal interfaces: case of tetrathiafulvalene-tetracyanoquinodimethane/Au(111).

Martínez JI, Abad E, Beltrán JI, Flores F, Ortega J. Martínez JI, et al. Among authors: abad e. J Chem Phys. 2013 Dec 7;139(21):214706. doi: 10.1063/1.4836635. J Chem Phys. 2013. PMID: 24320393

9

Photo-induced reactions from efficient molecular dynamics with electronic transitions using the FIREBALL local-orbital density functional theory formalism.

Zobač V, Lewis JP, Abad E, Mendieta-Moreno JI, Hapala P, Jelínek P, Ortega J. Zobač V, et al. Among authors: abad e. J Phys Condens Matter. 2015 May 8;27(17):175002. doi: 10.1088/0953-8984/27/17/175002. Epub 2015 Mar 20. J Phys Condens Matter. 2015. PMID: 25791682

10

Nonadiabatic Ensemble Simulations of cis-Stilbene and cis-Azobenzene Photoisomerization.

Neukirch AJ, Shamberger LC, Abad E, Haycock BJ, Wang H, Ortega J, Prezhdo OV, Lewis JP. Neukirch AJ, et al. Among authors: abad e. J Chem Theory Comput. 2014 Jan 14;10(1):14-23. doi: 10.1021/ct4009816. J Chem Theory Comput. 2014. PMID: 26579888

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