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1985 1
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2007 1
2008 1
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18 results

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Page 1
Phosphodiesterase 3A and Arterial Hypertension.
Ercu M, Markó L, Schächterle C, Tsvetkov D, Cui Y, Maghsodi S, Bartolomaeus TUP, Maass PG, Zühlke K, Gregersen N, Hübner N, Hodge R, Mühl A, Pohl B, Illas RM, Geelhaar A, Walter S, Napieczynska H, Schelenz S, Taube M, Heuser A, Anistan YM, Qadri F, Todiras M, Plehm R, Popova E, Langanki R, Eichhorst J, Lehmann M, Wiesner B, Russwurm M, Forslund SK, Kamer I, Müller DN, Gollasch M, Aydin A, Bähring S, Bader M, Luft FC, Klussmann E. Ercu M, et al. Circulation. 2020 Jul 14;142(2):133-149. doi: 10.1161/CIRCULATIONAHA.119.043061. Epub 2020 Jun 11. Circulation. 2020. PMID: 32524868
Bonding of CO and NO to NiO(100): a strategy for obtaining accurate adsorption energies.
Mehdaoui I, Klüner T. Mehdaoui I, et al. J Phys Chem A. 2007 Dec 20;111(50):13233-7. doi: 10.1021/jp075703i. Epub 2007 Nov 15. J Phys Chem A. 2007. PMID: 18001012
As has been shown by Pacchioni et al. (Pacchioni, G.; Di Valentin, C.; Dominguez-Ariza, D.; Illas, F.; Bredow, T.; Kluner, T.; Staemmler, V. J. Phys.: Condens. ...
As has been shown by Pacchioni et al. (Pacchioni, G.; Di Valentin, C.; Dominguez-Ariza, D.; Illas, F.; Bredow, T.; Kluner, T.; …
Density functional studies of model cerium oxide nanoparticles.
Loschen C, Migani A, Bromley ST, Illas F, Neyman KM. Loschen C, et al. 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
Density functional plane-wave calculations have been performed to investigate a series of ceria nanoparticles (CeO2-x)(n), n f-electron introduced upon Ce4+ --> Ce3+ reduction have been accounted for through the use of an …
Density functional plane-wave calculations have been performed to investigate a series of ceria nanoparticles (CeO2-x)(n), n
ZnO powders as multi-facet single crystals.
Haque F, Chenot S, Viñes F, Illas F, Stankic S, Jupille J. Haque F, et al. Phys Chem Chem Phys. 2017 Apr 19;19(16):10622-10628. doi: 10.1039/c7cp01635b. Phys Chem Chem Phys. 2017. PMID: 28397894 Free article.
Preliminary observations on the spawning conditions of the European amphioxus (Branchiostoma lanceolatum) in captivity.
Fuentes M, Schubert M, Dalfo D, Candiani S, Benito E, Gardenyes J, Godoy L, Moret F, Illas M, Patten I, Permanyer J, Oliveri D, Boeuf G, Falcon J, Pestarino M, Fernandez JG, Albalat R, Laudet V, Vernier P, Escriva H. Fuentes M, et al. J Exp Zool B Mol Dev Evol. 2004 Jul 15;302(4):384-91. doi: 10.1002/jez.b.20025. J Exp Zool B Mol Dev Evol. 2004. PMID: 15287102
Origin of Optical Excitations in Fluorine-Doped Titania from Response Function Theory: Relevance to Photocatalysis.
Tosoni S, Fernandez Hevia D, González Díaz Ó, Illas F. Tosoni S, et al. J Phys Chem Lett. 2012 Aug 16;3(16):2269-74. doi: 10.1021/jz300870f. Epub 2012 Aug 6. J Phys Chem Lett. 2012. PMID: 26295782
The present approach is able to reproduce the main features of experiments and high-level quasiparticle calculations for undoped titania but at a much lower computational cost, thus allowing the study of doped titania, which requires large supercells. Whereas the simulated spectr …
The present approach is able to reproduce the main features of experiments and high-level quasiparticle calculations for undoped titania but …
Adsorption properties of trifluoroacetic acid on anatase (101) and (001) surfaces: a density functional theory study.
Lamiel-Garcia O, Fernandez-Hevia D, Caballero AC, Illas F. Lamiel-Garcia O, et al. Phys Chem Chem Phys. 2015 Sep 28;17(36):23627-33. doi: 10.1039/c5cp03780h. Phys Chem Chem Phys. 2015. PMID: 26300332
This, in turn, has a very significant impact on industrial production strategies of value-added TiO2 for photocatalytic applications. Analysis of calculated core level binding energies for F(1s) confirms the experimental assignment to F at the surface as F(-) …
This, in turn, has a very significant impact on industrial production strategies of value-added TiO2 for photocatalytic applications. Analys …
Optical properties of Cu nanoclusters supported on MgO(100).
Del Vitto A, Sousa C, Illas F, Pacchioni G. Del Vitto A, et al. J Chem Phys. 2004 Oct 15;121(15):7457-66. doi: 10.1063/1.1796311. J Chem Phys. 2004. PMID: 15473820
Three adsorption sites have been considered as representative of the complexity of the MgO surface: regular sites at flat (100) terraces, extended defects such as monoatomic steps, and point defects such as neutral oxygen vacancies (F or color centers). The optical propert …
Three adsorption sites have been considered as representative of the complexity of the MgO surface: regular sites at flat (100) terraces, ex …
18 results