Publications (56) BEGOÑA MILIAN MEDINA publications

2024

  1. Rational Design of Color-Pure Blue Organic Emitters by Poly-Heteroaromatic Omni-Delocalization

    Advanced Materials, Vol. 36, Núm. 36

2023

  1. Donor–Acceptor–Donor Triads with Flexible Spacers: Deciphering Complex Photophysics for Targeted Materials Design

    Advanced Materials, Vol. 35, Núm. 44

2022

  1. Accurate Calculation of Excited-State Absorption for Small-to-Medium-Sized Conjugated Oligomers: Multiconfigurational Treatment vs Quadratic Response TD-DFT

    Journal of Chemical Theory and Computation, Vol. 18, Núm. 9, pp. 5449-5458

  2. Quantum-chemistry study of the ground and excited state absorption of distyrylbenzene: Multi vs single reference methods

    Journal of Chemical Physics, Vol. 156, Núm. 4

2021

  1. Luminescence in Crystalline Organic Materials: From Molecules to Molecular Solids

    Advanced Optical Materials, Vol. 9, Núm. 13

2020

  1. Combined Spectroscopic and TD-DFT Analysis to Elucidate Substituent and Acidochromic Effects in Organic Dyes: A Case Study on Amino- versus Nitro-Substituted 2,4-Diphenylquinolines

    ChemPhysChem, Vol. 21, Núm. 16, pp. 1797-1804

  2. Counterion-Mediated Crossing of the Cyanine Limit in Crystals and Fluid Solution: Bond Length Alternation and Spectral Broadening Unveiled by Quantum Chemistry

    Journal of the American Chemical Society, Vol. 142, Núm. 6, pp. 2835-2843

2019

  1. Assembly-Induced Bright-Light Emission from Solution-Processed Platinum(II) Inorganic Polymers

    ACS Omega, Vol. 4, Núm. 6, pp. 10192-10204

  2. Crossed 2D versus Slipped 1D π-Stacking in Polymorphs of Crystalline Organic Thin Films: Impact on the Electronic and Optical Response

    Advanced Optical Materials, Vol. 7, Núm. 21

  3. Excited-state non-radiative decay in stilbenoid compounds: An: Ab initio quantum-chemistry study on size and substituent effects

    Physical Chemistry Chemical Physics, Vol. 21, Núm. 40, pp. 22429-22439

  4. Gamification in the teaching-learning process of chemistry: design of new resources

    Ikaskuntza-irakaskuntza akademikoaren eremu berriak arakatzen

  5. Inverted energy gap law for the nonradiative decay in fluorescent floppy molecules: Larger fluorescence quantum yields for smaller energy gaps

    Inorganic Chemistry Frontiers, Vol. 6, Núm. 12, pp. 1948-1954

2018

  1. Highly efficient organic photocatalysts discovered via a computer-aided-design strategy for visible-light-driven atom transfer radical polymerization

    Nature Catalysis, Vol. 1, Núm. 10, pp. 794-804

2017

  1. "Though it be but little, it is fierce": Excited state engineering of conjugated organic materials by fluorination

    Journal of Physical Chemistry Letters, Vol. 8, Núm. 1, pp. 91-101

  2. Excited state absorption spectra of dissolved and aggregated distyrylbenzene: A TD-DFT state and vibronic analysis

    Journal of Chemical Physics, Vol. 147, Núm. 3

  3. Solid State Luminescence Enhancement in π-Conjugated Materials: Unraveling the Mechanism beyond the Framework of AIE/AIEE

    Journal of Physical Chemistry C, Vol. 121, Núm. 41, pp. 23166-23183

  4. Tetrakis{[(p-dodecacarboranyl)methyl]stilbenyl}ethylene: A Luminescent Tetraphenylethylene (TPE) Core System

    European Journal of Inorganic Chemistry, Vol. 2017, Núm. 38, pp. 4575-4580

  5. Twist-Elasticity-Controlled Crystal Emission in Highly Luminescent Polymorphs of Cyano-Substituted Distyrylbenzene (βDCS)

    Advanced Optical Materials, Vol. 5, Núm. 21

2016

  1. Calculation of low bandgap homopolymers: Comparison of TD-DFT methods with experimental oligomer series

    Chemical Physics Letters, Vol. 645, pp. 169-173

  2. Effective conjugation in conjugated polymers with strongly twisted backbones: A case study on fluorinated MEHPPV

    Journal of Materials Chemistry C, Vol. 4, Núm. 28, pp. 6900-6906