Química Física y Química Inorgánica
Departamento
![Foto de Tomás](/img/nophoto.png)
Tomás
Peña Ruiz
Publicaciones en las que colabora con Tomás Peña Ruiz (7)
2016
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Effect of five-membered ring and heteroatom substitution on charge transport properties of perylene discotic derivatives: A theoretical approach
Journal of Chemical Physics, Vol. 145, Núm. 5
2014
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Theoretical estimation of the optical bandgap in a series of poly(aryl-ethynylene)s: A DFT study
Journal of Chemical Physics, Vol. 140, Núm. 4
2011
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Theoretical study of the effect of alkyl and alkoxy lateral chains on the structural and electronic properties of π-conjugated polymers consisting of phenylethynyl-1,3,4-thiadiazole
Journal of Physical Chemistry C, Vol. 115, Núm. 6, pp. 2865-2873
2010
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Density functional theory study of the optical and electronic properties of oligomers based on phenyl-ethynyl units linked to triazole, thiadiazole, and oxadiazole rings to be used in molecular electronics
Journal of Chemical Physics, Vol. 132, Núm. 6
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Molecular structure, conformational preferences and vibrational analysis of 2-hydroxystyrene: A computational and spectroscopic research
Chemical Physics, Vol. 374, Núm. 1-3, pp. 62-76
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Theoretical study of Bis(phenylethynyl)thienoacenes as precursors of molecular wires for molecular electronics
Journal of Physical Chemistry C, Vol. 114, Núm. 28, pp. 12325-12334
2009
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Theoretical study of the effect of ethynyl group on the structure and electrical properties of phenyl-thiadiazole systems as precursors of electron-conducting materials
Journal of Chemical Physics, Vol. 130, Núm. 23