Publicaciones en las que colabora con Mónica Moral Muñoz (16)

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

2019

  1. Combined Theoretical and Experimental Study on Intramolecular Charge Transfer Processes in Star-Shaped Conjugated Molecules

    Journal of Physical Chemistry C, Vol. 123, Núm. 17, pp. 11179-11188

2018

  1. Deep-Blue Oxadiazole-Containing Thermally Activated Delayed Fluorescence Emitters for Organic Light-Emitting Diodes

    ACS Applied Materials and Interfaces, Vol. 10, Núm. 39, pp. 33360-33372

  2. N-doped cycloparaphenylenes: Tuning electronic properties for applications in thermally activated delayed fluorescence

    International Journal of Quantum Chemistry, Vol. 118, Núm. 12

2017

  1. Dynamic nature of excited states of donor-acceptor TADF materials for OLEDs: How theory can reveal structure-property relationships

    Journal of Materials Chemistry C, Vol. 5, Núm. 23, pp. 5718-5729

  2. Understanding and Controlling Chemical Modifications of Rubicene for Their Envisioned Use as Molecular Organic Semiconductors

    Journal of Physical Chemistry C, Vol. 121, Núm. 6, pp. 3171-3181

  3. Virtual Design in Organic Electronics: Screening of a Large Set of 1,4-Bis(phenylethynyl)benzene Derivatives as Molecular Semiconductors

    Journal of Physical Chemistry C, Vol. 121, Núm. 51, pp. 28249-28261

2016

  1. Effect of cyclic topology on charge-transfer properties of organic molecular semiconductors: The case of cycloparaphenylene molecules

    Journal of Physical Chemistry C, Vol. 120, Núm. 17, pp. 9104-9111

  2. Optoelectronic and Semiconducting Properties of Conjugated Polymers Composed of Thiazolo[5,4?d]thiazole and Arene Imides Linked by Ethynylene Bridges

    Journal of Physical Chemistry C, Vol. 120, Núm. 43, pp. 24583-24596

  3. Theoretical Study of Cyclic Pyrene Oligomers and Their Resemblance with Cyclic Paraphenylenes: Disclosing Structure-Property Relationships for Cyclic Nanorings

    Journal of Physical Chemistry C, Vol. 120, Núm. 38, pp. 22069-22078

  4. Theoretical Study of Strained Carbon-Based Nanobelts: Structural, Energetic, Electronic, and Magnetic Properties of [n]Cyclacenes

    Advanced Magnetic and Optical Materials (wiley), pp. 165-184

  5. Theoretical determination of interaction and cohesive energies of weakly bound cycloparaphenylene molecules

    Journal of Physical Chemistry C, Vol. 120, Núm. 39, pp. 22627-22634

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. Cost-Effective Force Field Tailored for Solid-Phase Simulations of OLED Materials

    Journal of Chemical Theory and Computation, Vol. 11, Núm. 7, pp. 3383-3392

  3. Intra- and intermolecular dispersion interactions in [n]cycloparaphenylenes: Do they influence their structural and electronic properties?

    ChemPhysChem, Vol. 16, Núm. 7, pp. 1520-1528

  4. Theoretical rationalization of the singlet-triplet gap in oleds materials: Impact of charge-transfer character

    Journal of Chemical Theory and Computation, Vol. 11, Núm. 1, pp. 168-177