Santoro F - Search Results

1

Author Correction: Sub-100-fs energy transfer in coenzyme NADH is a coherent process assisted by a charge-transfer state.

Jaiswal VK, Aranda Ruiz D, Petropoulos V, Kabaciński P, Montorsi F, Uboldi L, Ugolini S, Mukamel S, Cerullo G, Garavelli M, Santoro F, Nenov A. Jaiswal VK, et al. Among authors: santoro f. Nat Commun. 2024 Sep 10;15(1):7912. doi: 10.1038/s41467-024-52280-y. Nat Commun. 2024. PMID: 39256436 Free PMC article. No abstract available.

2

Excited-State Absorption of Uracil in the Gas Phase: Mapping the Main Decay Paths by Different Electronic Structure Methods.

Fedotov DA, Paul AC, Posocco P, Santoro F, Garavelli M, Koch H, Coriani S, Improta R. Fedotov DA, et al. Among authors: santoro f. J Chem Theory Comput. 2021 Mar 9;17(3):1638-1652. doi: 10.1021/acs.jctc.0c01150. Epub 2021 Feb 2. J Chem Theory Comput. 2021. PMID: 33529532 Free article.

3

Parameterization of a linear vibronic coupling model with multiconfigurational electronic structure methods to study the quantum dynamics of photoexcited pyrene.

Aleotti F, Aranda D, Yaghoubi Jouybari M, Garavelli M, Nenov A, Santoro F. Aleotti F, et al. Among authors: santoro f. J Chem Phys. 2021 Mar 14;154(10):104106. doi: 10.1063/5.0044693. J Chem Phys. 2021. PMID: 33722019

4

Nonlinear Molecular Electronic Spectroscopy via MCTDH Quantum Dynamics: From Exact to Approximate Expressions.

Segatta F, Ruiz DA, Aleotti F, Yaghoubi M, Mukamel S, Garavelli M, Santoro F, Nenov A. Segatta F, et al. Among authors: santoro f. J Chem Theory Comput. 2023 Apr 11;19(7):2075-2091. doi: 10.1021/acs.jctc.2c01059. Epub 2023 Mar 24. J Chem Theory Comput. 2023. PMID: 36961952 Free PMC article.

5

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: santoro f. 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.

6

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: santoro f. 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.

7

Sub-100-fs energy transfer in coenzyme NADH is a coherent process assisted by a charge-transfer state.

Jaiswal VK, Aranda Ruiz D, Petropoulos V, Kabaciński P, Montorsi F, Uboldi L, Ugolini S, Mukamel S, Cerullo G, Garavelli M, Santoro F, Nenov A. Jaiswal VK, et al. Among authors: santoro f. Nat Commun. 2024 Jun 8;15(1):4900. doi: 10.1038/s41467-024-48871-4. Nat Commun. 2024. PMID: 38851775 Free PMC article.

8

Barrierless photoisomerisation of the "simplest cyanine": joining computational and femtosecond optical spectroscopies to trace the full reaction path.

Weigel A, Pfaffe M, Sajadi M, Mahrwald R, Improta R, Barone V, Polli D, Cerullo G, Ernsting NP, Santoro F. Weigel A, et al. Among authors: santoro f. Phys Chem Chem Phys. 2012 Oct 14;14(38):13350-64. doi: 10.1039/c2cp41522d. Phys Chem Chem Phys. 2012. PMID: 22933313

9

Fragment Diabatization Linear Vibronic Coupling Model for Quantum Dynamics of Multichromophoric Systems: Population of the Charge-Transfer State in the Photoexcited Guanine-Cytosine Pair.

Green JA, Yaghoubi Jouybari M, Asha H, Santoro F, Improta R. Green JA, et al. Among authors: santoro f. J Chem Theory Comput. 2021 Aug 10;17(8):4660-4674. doi: 10.1021/acs.jctc.1c00416. Epub 2021 Jul 16. J Chem Theory Comput. 2021. PMID: 34270258

10

Linear Vibronic Coupling Approach for Surface-Enhanced Raman Scattering: Quantifying the Charge-Transfer Enhancement Mechanism.

García-González F, Otero JC, Ávila Ferrer FJ, Santoro F, Aranda D. García-González F, et al. Among authors: santoro f. J Chem Theory Comput. 2024 May 14;20(9):3850-3863. doi: 10.1021/acs.jctc.4c00061. Epub 2024 Apr 30. J Chem Theory Comput. 2024. PMID: 38687961 Free PMC article.

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