JOSÉ MANUEL
GRANADINO ROLDÁN
TITULAR DE UNIVERSIDAD
Mª PAZ
FERNÁNDEZ DE LIENCRES DE LA TORRE
TITULAR DE UNIVERSIDAD
Publications by the researcher in collaboration with Mª PAZ FERNÁNDEZ DE LIENCRES DE LA TORRE (13)
2018
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Butterfly Molecules: How Cross-Stacking Determines Bulk Physical Properties
Journal of Physical Chemistry C, Vol. 122, Núm. 22, pp. 12002-12014
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
2015
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A DFT approach to the charge transport related properties in columnar stacked π-conjugated N-heterocycle cores including electron donor and acceptor units
Physical Chemistry Chemical Physics, Vol. 17, Núm. 1, pp. 605-618
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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The role of linear alkyl and alkoxy side chains in the modulation of the structure and electrical properties of bithiophene:a theoretical study
Australian Journal of Chemistry
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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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A quantum mechanical study on polymer flexibility: Extended model from monomer to tetramer of 2- and 4-bromostyrenes
Polymer, Vol. 50, Núm. 1, pp. 317-327
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New insight into the structure, internal rotation barrier and vibrational analysis of 2-fluorostyrene
Chemical Physics, Vol. 361, Núm. 1-2, pp. 94-105
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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
2007
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Neutrones y vibraciones moleculares: Aplicación a algunos casos seleccionados
Homenaje al profesor don Fermín Capitán: Investigación actual de la Escuela Analítica de Granada (Editorial Universidad de Granada), pp. 739-768