Juan Carlos Roldao
Affiliations: | 2018-2022 | IMDEA Nanociencia | |
2022-2023 | IKERBASQUE. Donostia International Physics Center (DIPC). Euskal Herriko Unibertsitatea (UPV/EHU). | ||
2023- | University of Valencia, Spain, Valencia, Comunidad Valenciana, Spain |
Area:
Quantum ChemistryGoogle:
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Parents
Sign in to add mentorJohannes Gierschner | grad student | 2018-2022 | University Autónoma Madrid, IMDEA Nanociencia |
Begoña Milián-Medina | grad student | 2018-2022 | University of Valencia |
Daniel Roca-Sanjuán | post-doc | 2023- | University of Valencia, Spain |
David Casanova | post-doc | 2022-2023 | Donostia International Physics Center |
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Publications
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Preethalayam P, Roldao JC, Castet F, et al. (2024) 3,4-Dimethylenecyclobutene: A Building Block for Design of Macrocycles with Excited State Aromatic Low-Lying High-Spin States. Chemistry (Weinheim An Der Bergstrasse, Germany). e202303549 |
Kwon Y, Lee J, Noh Y, et al. (2023) Formation and degradation of strongly reducing cyanoarene-based radical anions towards efficient radical anion-mediated photoredox catalysis. Nature Communications. 14: 92 |
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 |
Wu Z, Roldao JC, Rauch F, et al. (2022) Pure Boric Acid Does Not Show Room Temperature Phosphorescence (RTP). Angewandte Chemie (International Ed. in English) |
Liu Q, Wackenhut F, Wang L, et al. (2021) Direct Observation of Structural Heterogeneity and Tautomerization of Single Hypericin Molecules. The Journal of Physical Chemistry Letters. 1025-1031 |
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 |