ICMOL
Institut d' investigació
ANGELO
GIUSSANI -
AYUDANTE DOCTOR/A
Publicaciones en las que colabora con ANGELO GIUSSANI - (42)
2024
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A First Proposal on the Nitrobenzene Photorelease Mechanism of NO2 and Its Relation to NO Formation through a Roaming Mechanism
Journal of Physical Chemistry Letters, Vol. 15, Núm. 8, pp. 2216-2221
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Quantum-Chemistry Study of the Photophysical Properties of 4-Thiouracil and Comparisons with 2-Thiouracil
Journal of Physical Chemistry A, Vol. 128, Núm. 12, pp. 2273-2285
2023
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Cooperative Sensitization Upconversion in Ytterbium(III)-Based Eosin Lake Pigments
ChemPhotoChem, Vol. 7, Núm. 10
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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
Frontiers in Chemistry, Vol. 11
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Nonlinear spectroscopies
Theoretical and Computational Photochemistry: Fundamentals, Methods, Applications and Synergy with Experimental Approaches (Elsevier), pp. 417-445
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On the importance of equatorial metal-centered excited states in the photophysics of cyclometallated Ir(iii) complexes
Dalton Transactions, Vol. 52, Núm. 30, pp. 10437-10447
2022
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On the photorelease of nitric oxide by nitrobenzene derivatives: A CASPT2//CASSCF model
The Journal of chemical physics, Vol. 157, Núm. 20, pp. 204301
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Quantum chemistry of the excited state: advances in 2020-2021
Photochemistry (Royal Society of Chemistry), pp. 28-66
2021
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Building a Functionalizable, Potent Chemiluminescent Agent: A Rational Design Study on 6,8-Substituted Luminol Derivatives
Journal of Organic Chemistry, Vol. 86, Núm. 17, pp. 11388-11398
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On the Importance of Ligand-Centered Excited States in the Emission of Cyclometalated Ir(III) Complexes
Inorganic Chemistry, Vol. 60, Núm. 17, pp. 13222-13232
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Photochemistry, chemiluminescence and dark photochemistry: Computational advances (2018-2019)
Photochemistry (Royal Society of Chemistry), pp. 24-70
2020
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How important is roaming in the photodegradation of nitrobenzene?
Physical Chemistry Chemical Physics, Vol. 22, Núm. 28, pp. 15945-15952
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On the Intrinsically Low Quantum Yields of Pyrimidine DNA Photodamages: Evaluating the Reactivity of the Corresponding Minimum Energy Crossing Points
Journal of Physical Chemistry Letters, Vol. 11, Núm. 13, pp. 4984-4989
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On the chemiluminescence emission of luminol: Protic and aprotic solvents and encapsulation to improve the properties in aqueous solution
Physical Chemistry Chemical Physics, Vol. 22, Núm. 47, pp. 27617-27625
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Regiochemical memory in the adiabatic photolysis of thymine-derived oxetanes. A combined ultrafast spectroscopic and CASSCF/CASPT2 computational study
Physical Chemistry Chemical Physics, Vol. 22, Núm. 35, pp. 20037-20042
2019
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Azole-containing cationic bis-cyclometallated iridium(iii) isocyanide complexes: A theoretical insight into the emission energy and emission efficiency
Dalton Transactions, Vol. 48, Núm. 26, pp. 9725-9733
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Induced Night Vision by Singlet-Oxygen-Mediated Activation of Rhodopsin
Journal of Physical Chemistry Letters, Vol. 10, Núm. 22, pp. 7133-7140
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Molecular Basis of the Chemiluminescence Mechanism of Luminol
Chemistry - A European Journal, Vol. 25, Núm. 20, pp. 5202-5213
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OpenMolcas: From Source Code to Insight
Journal of Chemical Theory and Computation, Vol. 15, Núm. 11, pp. 5925-5964
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Pyrene, a Test Case for Deep-Ultraviolet Molecular Photophysics
Journal of Physical Chemistry Letters, Vol. 10, Núm. 12, pp. 3481-3487