JOSÉ MANUEL
GRANADINO ROLDÁN
TITULAR DE UNIVERSIDAD
AMPARO
NAVARRO RASCÓN
TITULAR DE UNIVERSIDAD
Publications by the researcher in collaboration with AMPARO NAVARRO RASCÓN (23)
2021
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Triphenylamine- And triazine-containing hydrogen bonded complexes: liquid crystalline supramolecular semiconductors
Journal of Materials Chemistry C, Vol. 9, Núm. 6, pp. 1972-1982
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
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Inspecting the Electronic Architecture and Semiconducting Properties of a Rosette-Like Supramolecular Columnar Liquid Crystal
Chemistry - A European Journal, Vol. 24, Núm. 66, pp. 17459-17463
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
2013
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Theoretical approach to the study of thiophene-based discotic systems as organic semiconductors
Journal of Physical Chemistry C, Vol. 117, Núm. 1, pp. 15-22
2012
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Poly(arylenethynyl-thienoacenes) as candidates for organic semiconducting materials. A DFT insight
Organic Electronics, Vol. 13, Núm. 12, pp. 3244-3253
2011
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Optoelectronic and charge transport properties of oligomers based on phenylethynylene units linked to thieno-acenes: A DFT study
Journal of Physical Chemistry C, Vol. 115, Núm. 14, pp. 6922-6932
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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
2006
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The molecular structure and vibrational spectrum of 4-chlorostyrene
Journal of Molecular Structure, Vol. 789, Núm. 1-3, pp. 118-127
2004
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An approach to the structure and vibrational analysis of cis- and trans-3-chlorostyrene through IR/Raman and INS spectroscopies and theoretical ab initio/DFT calculations
Physical Chemistry Chemical Physics, pp. 1133-1143