| Year |
Citation |
Score |
| 2024 |
Preethalayam P, Roldao JC, Castet F, Casanova D, Radenković S, Ottosson H. 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. PMID 38433097 DOI: 10.1002/chem.202303549 |
0.617 |
|
| 2023 |
Kwon Y, Lee J, Noh Y, Kim D, Lee Y, Yu C, Roldao JC, Feng S, Gierschner J, Wannemacher R, Kwon MS. Formation and degradation of strongly reducing cyanoarene-based radical anions towards efficient radical anion-mediated photoredox catalysis. Nature Communications. 14: 92. PMID 36609499 DOI: 10.1038/s41467-022-35774-5 |
0.706 |
|
| 2022 |
Roldao JC, Oliveira EF, Milián-Medina B, Gierschner J, Roca-Sanjuán D. 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. PMID 35939053 DOI: 10.1021/acs.jctc.2c00302 |
0.721 |
|
| 2022 |
Roldao JC, Oliveira EF, Milián-Medina B, Gierschner J, Roca-Sanjuán D. Quantum-chemistry study of the ground and excited state absorption of distyrylbenzene: Multi vs single reference methods. The Journal of Chemical Physics. 156: 044102. PMID 35105079 DOI: 10.1063/5.0073189 |
0.715 |
|
| 2022 |
Wu Z, Roldao JC, Rauch F, Friedrich A, Ferger M, Würthner F, Gierschner J, Marder TB. Pure Boric Acid Does Not Show Room Temperature Phosphorescence (RTP). Angewandte Chemie (International Ed. in English). PMID 35104020 DOI: 10.1002/anie.202200599 |
0.634 |
|
| 2021 |
Liu Q, Wackenhut F, Wang L, Hauler O, Roldao JC, Adam PM, Brecht M, Gierschner J, Meixner AJ. Direct Observation of Structural Heterogeneity and Tautomerization of Single Hypericin Molecules. The Journal of Physical Chemistry Letters. 1025-1031. PMID 33470816 DOI: 10.1021/acs.jpclett.0c03459 |
0.672 |
|
| 2020 |
Gierschner J, Dos Santos GC, Roldao JC, Shi J, Milián-Medina B, da Silva Filho LC. 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. PMID 32602989 DOI: 10.1002/cphc.202000452 |
0.667 |
|
| 2020 |
Eskandari M, Roldao JC, Cerezo J, Milián-Medina B, Gierschner J. 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. PMID 31957436 DOI: 10.1021/jacs.9b10686 |
0.729 |
|
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