Begoña Milián-Medina, Ph.D.

Affiliations: 
2014- Department for Physical Chemistry University of Valencia, Valencia, Comunidad Valenciana, Spain 
Area:
Quantum Chemistry
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"Begoña Milián-Medina"
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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
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