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Page 1
Chirality Amplified: Long, Discrete Helicene Nanoribbons.
Xiao X, Pedersen SK, Aranda D, Yang J, Wiscons RA, Pittelkow M, Steigerwald ML, Santoro F, Schuster NJ, Nuckolls C. Xiao X, et al. Among authors: aranda d. J Am Chem Soc. 2021 Jan 20;143(2):983-991. doi: 10.1021/jacs.0c11260. Epub 2020 Dec 30. J Am Chem Soc. 2021. PMID: 33377771
Distinct Helical Molecular Orbitals through Conformational Lock*.
Ozcelik A, Aranda D, Gil-Guerrero S, Pola-Otero XA, Talavera M, Wang L, Behera SK, Gierschner J, Peña-Gallego Á, Santoro F, Pereira-Cameselle R, Alonso-Gómez JL. Ozcelik A, et al. Among authors: aranda d. Chemistry. 2020 Dec 23;26(72):17342-17349. doi: 10.1002/chem.202002561. Epub 2020 Oct 27. Chemistry. 2020. PMID: 32696530
Time-Resolved X-ray Absorption Spectroscopy: An MCTDH Quantum Dynamics Protocol.
Segatta F, Aranda D, Aleotti F, Montorsi F, Mukamel S, Garavelli M, Santoro F, Nenov A. Segatta F, et al. Among authors: aranda d. J Chem Theory Comput. 2024 Jan 9;20(1):307-322. doi: 10.1021/acs.jctc.3c00953. Epub 2023 Dec 15. J Chem Theory Comput. 2024. PMID: 38101807 Free PMC article.
Quantum-Classical Protocol for Efficient Characterization of Absorption Lineshape and Fluorescence Quenching upon Aggregation: The Case of Zinc Phthalocyanine Dyes.
Aarabi M, Aranda D, Gholami S, Meena SK, Lerouge F, Bretonniere Y, Gürol I, Baldeck P, Parola S, Dumoulin F, Cerezo J, Garavelli M, Santoro F, Rivalta I. Aarabi M, et al. Among authors: aranda d. J Chem Theory Comput. 2023 Sep 12;19(17):5938-5957. doi: 10.1021/acs.jctc.3c00446. Epub 2023 Aug 29. J Chem Theory Comput. 2023. PMID: 37641958 Free PMC article.
How the Interplay among Conformational Disorder, Solvation, Local, and Charge-Transfer Excitations Affects the Absorption Spectrum and Photoinduced Dynamics of Perylene Diimide Dimers: A Molecular Dynamics/Quantum Vibronic Approach.
Segalina A, Aranda D, Green JA, Cristino V, Caramori S, Prampolini G, Pastore M, Santoro F. Segalina A, et al. Among authors: aranda d. J Chem Theory Comput. 2022 Jun 14;18(6):3718-3736. doi: 10.1021/acs.jctc.2c00063. Epub 2022 Apr 4. J Chem Theory Comput. 2022. PMID: 35377648 Free PMC article.
24 results