Begoña Milián-Medina, Ph.D.
Affiliations: | 2014- | Department for Physical Chemistry | University of Valencia, Valencia, Comunidad Valenciana, Spain |
Area:
Quantum ChemistryGoogle:
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Parents
Sign in to add mentorEnrique Ortí | grad student | 2000-2004 | University of Valencia, Spain |
Rosendo Pou | grad student | 2003-2004 | University of Valencia |
Jean-Luc Brédas | post-doc | 2005 | Georgia Tech |
Jérôme Cornil | post-doc | 2004-2007 | University of Mons (UMONS, Belgium) |
Children
Sign in to add traineeJunqing Shi | grad student | 2013-2018 | University of Valencia |
Juan Carlos Roldao | grad student | 2018-2022 | University of Valencia |
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Publications
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Feng S, Wang L, Milián-Medina B, et al. (2023) Donor-Acceptor-Donor Triads with Flexible Spacers: Deciphering Complex Photophysics for Targeted Materials Design. Advanced Materials (Deerfield Beach, Fla.). e2306678 |
Roldao JC, Oliveira EF, Milián-Medina B, et al. (2022) 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 |
Roldao JC, Oliveira EF, Milián-Medina B, et al. (2022) Quantum-chemistry study of the ground and excited state absorption of distyrylbenzene: Multi vs single reference methods. The Journal of Chemical Physics. 156: 044102 |
Gierschner J, Dos Santos GC, Roldao JC, et al. (2020) Combined Spectroscopic and TD-DFT Analysis to Elucidate Substituent and Acidochromic Effects in Organic Dyes A Case Study on Amino- vs. Nitro-Substituted 2,4-Diphenylquinolines. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry |
Eskandari M, Roldao JC, Cerezo J, et al. (2020) 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. 142: 2835-2843 |
Izquierdo MA, Shi J, Oh S, et al. (2019) Excited-state non-radiative decay in stilbenoid compounds: an ab initio quantum-chemistry study on size and substituent effects. Physical Chemistry Chemical Physics : Pccp |
Oliveira EF, Shi J, Lavarda FC, et al. (2017) Excited state absorption spectra of dissolved and aggregated distyrylbenzene: A TD-DFT state and vibronic analysis. The Journal of Chemical Physics. 147: 034903 |
Milián-Medina B, Gierschner J. (2016) "Though It Be but Little, It Is Fierce": Excited State Engineering of Conjugated Organic Materials by Fluorination. The Journal of Physical Chemistry Letters. 8: 91-101 |
Erdmann T, Fabiano S, Milián-Medina B, et al. (2016) Naphthalenediimide Polymers with Finely Tuned in-Chain π-Conjugation: Electronic Structure, Film Microstructure, and Charge Transport Properties. Advanced Materials (Deerfield Beach, Fla.) |
Dänekamp B, Kobin B, Bhattacharyya S, et al. (2016) Tuning of the electronic and photophysical properties of ladder-type quaterphenyl by selective methylene-bridge fluorination. Physical Chemistry Chemical Physics : Pccp |