Publications by the researcher in collaboration with Mónica Moral Muñoz (24)

2022

  1. Intramolecular charge transfer and molecular flexibility: Key parameters to be considered in the design of highly fluorescent p-phenylene vinylene derivatives

    Dyes and Pigments, Vol. 199

2020

  1. Nature (Hole or Electron) of Charge-Transfer Ability of Substituted Cyclopyrenylene Hoop-Shaped Compounds

    Journal of Physical Chemistry A, Vol. 124, Núm. 18, pp. 3555-3563

  2. Understanding the Driving Mechanisms of Enhanced Luminescence Emission of Oligo(styryl)benzenes and Tri(styryl)-s-triazine

    Chemistry - A European Journal, Vol. 26, Núm. 15, pp. 3373-3384

  3. Unraveling the photophysical and semiconducting properties of color converter luminogens with aggregation induced emission characteristics

    Journal of Materials Chemistry C, Vol. 8, Núm. 47, pp. 16757-16768

2019

  1. Photophysical features and semiconducting properties of propeller-shaped oligo(styryl)benzenes

    Journal of Chemical Physics, Vol. 150, Núm. 6

  2. Tuning the Crystal Packing and Semiconductor Electronic Properties of 7,7′-Diazaisoindigo by Side-Chain Length and Halogenation

    Journal of Physical Chemistry C, Vol. 123, Núm. 1, pp. 153-164

2018

  1. Butterfly Molecules: How Cross-Stacking Determines Bulk Physical Properties

    Journal of Physical Chemistry C, Vol. 122, Núm. 22, pp. 12002-12014

2017

  1. Effect of the Aggregation on the Photophysical Properties of a Blue-Emitting Star-Shaped Molecule Based on 1,3,5-Tristyrylbenzene

    Journal of Physical Chemistry C, Vol. 121, Núm. 8, pp. 4720-4733

2016

  1. A DFT study on the mechanism and kinetics of reactions of pterostilbene with hydroxyl and hydroperoxyl radicals

    Computational and Theoretical Chemistry, Vol. 1077, pp. 113-118

  2. DFT study of the effect of fluorine atoms on the crystal structure and semiconducting properties of poly(arylene-ethynylene) derivatives

    Journal of Chemical Physics, Vol. 144, Núm. 15

2015

  1. Bis(arylene-ethynylene)-s-tetrazines: A Promising Family of n-Type Organic Semiconductors?

    Journal of Physical Chemistry C, Vol. 119, Núm. 33, pp. 18945-18955

  2. DFT study of the ambipolar character of polymers on the basis of s-tetrazine and aryl rings

    Journal of Physical Chemistry C, Vol. 119, Núm. 9, pp. 4588-4599

2014

  1. Electronic structure and charge transport properties of a series of 3,6-(diphenyl)-s-tetrazine derivatives: Are they suitable candidates for molecular electronics?

    Journal of Physical Chemistry C, Vol. 118, Núm. 46, pp. 26427-26439

  2. 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

  1. Crystal structure and charge transport properties of poly(arylene- ethynylene) derivatives: A DFT approach

    Journal of Chemical Physics, Vol. 138, Núm. 15

  2. 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

  1. Electronic properties of diphenyl-s-tetrazine and some related oligomers. An spectroscopic and theoretical study

    Chemical Physics, Vol. 408, pp. 17-27

  2. Poly(arylenethynyl-thienoacenes) as candidates for organic semiconducting materials. A DFT insight

    Organic Electronics, Vol. 13, Núm. 12, pp. 3244-3253

2011

  1. Does the number of nitrogen atoms have an influence on the conducting properties of diphenylazines? A DFT insight

    Chemical Physics, Vol. 379, Núm. 1-3, pp. 51-56

  2. 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