| Year |
Citation |
Score |
| 2017 |
Pham VD, Repain V, Chacon C, Bellec A, Girard Y, Rousset S, Abad E, Dappe YJ, Smogunov A, Lagoute J. Tuning the Electronic and Dynamical Properties of a Molecule by Atom Trapping Chemistry. Acs Nano. PMID 28960959 DOI: 10.1021/Acsnano.7B05235 |
0.416 |
|
| 2017 |
Felice DD, Abad E, González C, Smogunov A, Dappe YJ. Angle dependence of the local electronic properties of the graphene/MoS2 interface determined by ab initio calculations Journal of Physics D. 50. DOI: 10.1088/1361-6463/Aa64Fe |
0.405 |
|
| 2016 |
González C, Abad E, Dappe YJ, Cuevas JC. Theoretical study of carbon-based tips for scanning tunnelling microscopy. Nanotechnology. 27: 105201. PMID 26861537 DOI: 10.1088/0957-4484/27/10/105201 |
0.343 |
|
| 2015 |
Zoba? V, Lewis JP, Abad E, Mendieta-Moreno JI, Hapala P, Jelínek P, Ortega J. Photo-induced reactions from efficient molecular dynamics with electronic transitions using the FIREBALL local-orbital density functional theory formalism. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 27: 175002. PMID 25791682 DOI: 10.1088/0953-8984/27/17/175002 |
0.383 |
|
| 2014 |
Neukirch AJ, Shamberger LC, Abad E, Haycock BJ, Wang H, Ortega J, Prezhdo OV, Lewis JP. Nonadiabatic Ensemble Simulations of cis-Stilbene and cis-Azobenzene Photoisomerization. Journal of Chemical Theory and Computation. 10: 14-23. PMID 26579888 DOI: 10.1021/Ct4009816 |
0.332 |
|
| 2014 |
Martínez JI, Calle-Vallejo F, Abad E, Alonso JA. Metallicity enhancement in core–shell SiO2@RuO2 nanowires Rsc Advances. 4: 34696-34700. DOI: 10.1039/C4Ra05990E |
0.421 |
|
| 2014 |
Abad E, González C, Martínez JI, Flores F, Ortega J. Statistical analysis of stretched aluminum nanowires Journal of Nanoparticle Research. 16: 2262. DOI: 10.1007/S11051-014-2262-0 |
0.609 |
|
| 2013 |
Martínez JI, Abad E, Beltrán JI, Flores F, Ortega J. Barrier height formation in organic blends/metal interfaces: case of tetrathiafulvalene-tetracyanoquinodimethane/Au(111). The Journal of Chemical Physics. 139: 214706. PMID 24320393 DOI: 10.1063/1.4836635 |
0.718 |
|
| 2013 |
Abad E, Zenn RK, Kästner J. Reaction mechanism of monoamine oxidase from QM/MM calculations. The Journal of Physical Chemistry. B. 117: 14238-46. PMID 24164690 DOI: 10.1021/Jp4061522 |
0.325 |
|
| 2013 |
Abad E, Lewis JP, Zoba? V, Hapala P, Jelínek P, Ortega J. Calculation of non-adiabatic coupling vectors in a local-orbital basis set. The Journal of Chemical Physics. 138: 154106. PMID 23614411 DOI: 10.1063/1.4801511 |
0.399 |
|
| 2013 |
Flores F, Abad E, Martínez JI, Pieczyrak B, Ortega J. On the organic energy gap problem. Journal of Physics: Condensed Matter. 25: 94007. PMID 23400106 DOI: 10.1088/0953-8984/25/9/094007 |
0.692 |
|
| 2013 |
Calle-Vallejo F, Martínez JI, García-Lastra JM, Abad E, Koper MTM. Oxygen reduction and evolution at single-metal active sites: Comparison between functionalized graphitic materials and protoporphyrins Surface Science. 607: 47-53. DOI: 10.1016/J.Susc.2012.08.005 |
0.38 |
|
| 2012 |
Martínez JI, Abad E, González C, Flores F, Ortega J. Improvement of scanning tunneling microscopy resolution with H-sensitized tips Physical Review Letters. 108: 246102. PMID 23004294 DOI: 10.1103/Physrevlett.108.246102 |
0.533 |
|
| 2012 |
Martínez JI, Abad E, González C, Ortega J, Flores F. Theoretical characterization of the TTF/Au (1 1 1) interface: STM imaging, band alignment and charging energy Organic Electronics. 13: 399-408. DOI: 10.1016/J.Orgel.2011.12.003 |
0.733 |
|
| 2012 |
Abad E, Ortega J, Flores F. Metal/organic barrier formation for a C60/Au interface: From the molecular to the monolayer limit Physica Status Solidi (a). 209: 636-646. DOI: 10.1002/Pssa.201100610 |
0.738 |
|
| 2011 |
Pieczyrak B, Abad E, Flores F, Ortega JE. Charging energy and barrier height of pentacene on Au(111): a local-orbital hybrid-functional density functional theory approach. Journal of Chemical Physics. 135: 84702-84702. PMID 21895209 DOI: 10.1063/1.3626522 |
0.727 |
|
| 2011 |
Abad E, Dappe YJ, Martínez JI, Flores F, Ortega J. C6H6/Au(111): Interface dipoles, band alignment, charging energy, and van der Waals interaction Journal of Chemical Physics. 134: 44701. PMID 21280779 DOI: 10.1063/1.3521271 |
0.724 |
|
| 2011 |
Martínez JI, Abad E, Flores F, Ortega J, Brocks G. Barrier height formation for the PTCDA/Au(1 1 1) interface Chemical Physics. 390: 14-19. DOI: 10.1016/J.Chemphys.2011.09.018 |
0.738 |
|
| 2011 |
Martínez JI, Abad E, Flores F, Ortega J. Back Cover: Simulating the organic-molecule/metal interface TCNQ/Au(111) (Phys. Status Solidi B 9/2011) Physica Status Solidi B-Basic Solid State Physics. 248. DOI: 10.1002/Pssb.201190028 |
0.653 |
|
| 2011 |
Lewis JP, Jelínek P, Ortega J, Demkov AA, Trabada DG, Haycock B, Wang H, Adams G, Tomfohr JK, Abad E, Drabold DA. Advances and applications in the FIREBALL ab initio tight-binding molecular-dynamics formalism Physica Status Solidi (B) Basic Research. 248: 1989-2007. DOI: 10.1002/Pssb.201147259 |
0.361 |
|
| 2011 |
Martínez JI, Abad E, Flores F, Ortega J. Simulating the organic‐molecule/metal interface TCNQ/Au(111) Physica Status Solidi B-Basic Solid State Physics. 248: 2044-2049. DOI: 10.1002/Pssb.201147136 |
0.745 |
|
| 2010 |
Abad E, Martínez JI, Ortega J, Flores F. Barrier formation and charging energy for a variable nanogap organic molecular junction: a tip/C60/Au(111) configuration Journal of Physics: Condensed Matter. 22: 304007. PMID 21399339 DOI: 10.1088/0953-8984/22/30/304007 |
0.741 |
|
| 2010 |
Abad E, González C, Ortega J, Flores F. Charging energy, self-interaction correction and transport energy gap for a nanogap organic molecular junction Organic Electronics. 11: 332-337. DOI: 10.1016/J.Orgel.2009.11.012 |
0.732 |
|
| 2009 |
Abad E, Ortega J, Flores F. Density functional theory calculations and the induced density of interface states model for noble metals/C[sub 60] interfaces Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures. 27: 2008. DOI: 10.1116/1.3182739 |
0.646 |
|
| 2009 |
Abad E, Ortega J, Dappe YJ, Flores F. Dipoles and band alignment for benzene/Au(111) and C60/Au(111) interfaces Applied Physics A. 95: 119-124. DOI: 10.1007/S00339-008-5010-4 |
0.678 |
|
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