Publications by authors named "Angelo Giussani"

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On the Role of Spin-Orbit Coupling and State-Crossing Topography in the Nonradiative Decay of Ir(III) Complexes.
Iván Soriano-Díaz, Ilya D Dergachev, Sergey A Varganov, Enrique Ortí, Angelo Giussani

J Phys Chem Lett· September 2025

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An Experimental and Theoretical Study of the Valence Shell Electronic Structure of Nitromethane.
Ivan Powis, Juliana Cuéllar-Zuquin, Angelo Giussani, Javier Segarra-Martí, Bérenger Gans

J Phys Chem A· September 2025

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On the In Silico Evaluation of the Emission Quantum Yield of Cyclometalated Ir(III) Complexes.
Iván Soriano-Díaz, Alicia Omist, Ilya D Dergachev, Sergey A Varganov, Enrique Ortí, Angelo Giussani

Inorg Chem· April 2025

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Insights into the anticancer photodynamic activity of Ir(III) and Ru(II) polypyridyl complexes bearing β-carboline ligands.
Juan Sanz-Villafruela, Cristina Bermejo-Casadesus, Elisenda Zafon, Marta Martínez-Alonso, Gema Durá, Angelo Giussani

Eur J Med Chem· October 2024

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Predicting Nonradiative Decay Rate Constants of Cyclometalated Ir(III) Complexes.
Iván Soriano-Díaz, Enrique Ortí, Angelo Giussani

Inorg Chem· September 2024

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XMS-CASPT2//XMS-CASPT2 and XMS-CASPT2//CASSCF at comparison: The impact of dynamic correlation in the excited state optimization of nitronaphthalene.
Angelo Giussani, Javier Segarra-Martí

J Chem Phys· July 2024

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Quantum-Chemistry Study of the Photophysical Properties of 4-Thiouracil and Comparisons with 2-Thiouracil.
Miriam Navarrete-Miguel, Angelo Giussani, Mercedes Rubio, Martial Boggio-Pasqua, Antonio Carlos Borin

J Phys Chem A· March 2024

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A First Proposal on the Nitrobenzene Photorelease Mechanism of NO and Its Relation to NO Formation through a Roaming Mechanism.
Angelo Giussani, Graham A Worth

J Phys Chem Lett· February 2024

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Governing the emissive properties of 4-aminobiphenyl-2-pyrimidine push-pull systems via the restricted torsion of N,N-disubstituted amino groups.
Alejandro Cortés-Villena, Iván Soriano-Díaz, Moisés Domínguez, Matías Vidal, Pablo Rojas, Angelo Giussani

Front Chem· November 2023

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On the importance of equatorial metal-centered excited states in the photophysics of cyclometallated Ir(III) complexes.
Iván Soriano-Díaz, Enrique Ortí, Angelo Giussani

Dalton Trans· August 2023

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On the photorelease of nitric oxide by nitrobenzene derivatives: A CASPT2//CASSCF model.
Angelo Giussani, Graham A Worth

J Chem Phys· November 2022

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Building a Functionalizable, Potent Chemiluminescent Agent: A Rational Design Study on 6,8-Substituted Luminol Derivatives.
Theodoros Mikroulis, M Consuelo Cuquerella, Angelo Giussani, Anna Pantelia, Gemma M Rodríguez-Muñiz

J Org Chem· September 2021

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On the Importance of Ligand-Centered Excited States in the Emission of Cyclometalated Ir(III) Complexes.
Iván Soriano-Díaz, Enrique Ortí, Angelo Giussani

Inorg Chem· September 2021

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On the chemiluminescence emission of luminol: protic and aprotic solvents and encapsulation to improve the properties in aqueous solution.
Ana Borrego-Sánchez, Angelo Giussani, Mercedes Rubio, Daniel Roca-Sanjuán

Phys Chem Chem Phys· December 2020

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Regiochemical memory in the adiabatic photolysis of thymine-derived oxetanes. A combined ultrafast spectroscopic and CASSCF/CASPT2 computational study.
Alejandro Blasco-Brusola, Miriam Navarrete-Miguel, Angelo Giussani, Daniel Roca-Sanjuán, Ignacio Vayá

Phys Chem Chem Phys· September 2020

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On the Intrinsically Low Quantum Yields of Pyrimidine DNA Photodamages: Evaluating the Reactivity of the Corresponding Minimum Energy Crossing Points.
Angelo Giussani, Graham A Worth

J Phys Chem Lett· July 2020

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How important is roaming in the photodegradation of nitrobenzene?
Angelo Giussani, Graham A Worth

Phys Chem Chem Phys· July 2020

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OpenMolcas: From Source Code to Insight.
Ignacio Fdez Galván, Morgane Vacher, Ali Alavi, Celestino Angeli, Francesco Aquilante, Angelo Giussani

J Chem Theory Comput· November 2019

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Induced Night Vision by Singlet-Oxygen-Mediated Activation of Rhodopsin.
Marco Marazzi, Hugo Gattuso, Angelo Giussani, Hong Zhang, Miriam Navarrete-Miguel

J Phys Chem Lett· November 2019

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Azole-containing cationic bis-cyclometallated iridium(iii) isocyanide complexes: a theoretical insight into the emission energy and emission efficiency.
Angelo Giussani, Paula Pla, José M Junquera-Hernández, Enrique Ortí

Dalton Trans· July 2019

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Pyrene, a Test Case for Deep-Ultraviolet Molecular Photophysics.
Alessandra Picchiotti, Artur Nenov, Angelo Giussani, Valentyn I Prokhorenko, R J Dwayne Miller

J Phys Chem Lett· June 2019

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Similar chemical structures, dissimilar triplet quantum yields: a CASPT2 model rationalizing the trend of triplet quantum yields in nitroaromatic systems.
Angelo Giussani, Graham A Worth

Phys Chem Chem Phys· May 2019

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Molecular Basis of the Chemiluminescence Mechanism of Luminol.
Angelo Giussani, Pooria Farahani, Daniel Martínez-Muñoz, Marcus Lundberg, Roland Lindh

Chemistry· April 2019

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Photoinduced formation mechanism of the thymine-thymine (6-4) adduct in DNA; a QM(CASPT2//CASSCF):MM(AMBER) study.
Angelo Giussani, Irene Conti, Artur Nenov, Marco Garavelli

Faraday Discuss· April 2018

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Light induced damage and repair in nucleic acids and proteins: general discussion.
Amitava Chandra, Richard Cogdell, Carlos E Crespo-Hernández, Ankona Datta, Angelo Giussani

Faraday Discuss· April 2018

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