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On the photorelease of nitric oxide by nitrobenzene derivatives: A CASPT2//CASSCF model

The Journal of chemical physics, 2022-11, Vol.157 (20), p.204301-204301

2022

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Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table

Journal of computational chemistry, 2016-02, Vol.37 (5), p.506-541

2016

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Modeling the high-energy electronic state manifold of adenine: Calibration for nonlinear electronic spectroscopy

The Journal of chemical physics, 2015-06, Vol.142 (21), p.212443-212443

2015

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Toward the Understanding of the Photophysics and Photochemistry of 1‑Nitronaphthalene under Solar Radiation: The First Theoretical Evidence of a Photodegradation Intramolecular Rearrangement Mechanism Involving the Triplet States

Journal of chemical theory and computation, 2014-09, Vol.10 (9), p.3987-3995

Giussani, Angelo

2014

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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, 2023, Vol.11, p.1292541-1292541

2023

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A First Proposal on the Nitrobenzene Photorelease Mechanism of NO2 and Its Relation to NO Formation through a Roaming Mechanism

The journal of physical chemistry letters, 2024-02, Vol.15 (8), p.2216-2221

2024

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A First Proposal on the Nitrobenzene Photorelease Mechanism of NO 2 and Its Relation to NO Formation through a Roaming Mechanism

The journal of physical chemistry letters, 2024-02, Vol.15 (8), p.2216

2024

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Combined Theoretical and Experimental Study of the Photophysics of Asulam

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-03, Vol.117 (10), p.2125-2137

2013

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How important is roaming in the photodegradation of nitrobenzene?

Physical chemistry chemical physics : PCCP, 2020-07, Vol.22 (28), p.15945-15952

2020

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Insights into the Complex Photophysics and Photochemistry of the Simplest Nitroaromatic Compound: A CASPT2//CASSCF Study on Nitrobenzene

Journal of chemical theory and computation, 2017-06, Vol.13 (6), p.2777-2788

2017

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On the Intrinsically Low Quantum Yields of Pyrimidine DNA Photodamages: Evaluating the Reactivity of the Corresponding Minimum Energy Crossing Points

The journal of physical chemistry letters, 2020-07, Vol.11 (13), p.4984-4989

2020

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Similar chemical structures, dissimilar triplet quantum yields: a CASPT2 model rationalizing the trend of triplet quantum yields in nitroaromatic systems

Physical chemistry chemical physics : PCCP, 2019-05, Vol.21 (2), p.1514-1522

2019

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On the importance of equatorial metal-centered excited states in the photophysics of cyclometallated Ir() complexes

Dalton transactions : an international journal of inorganic chemistry, 2023-08, Vol.52 (3), p.1437-1447

2023

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Photoinduced formation mechanism of the thymine-thymine (6-4) adduct in DNA; a QM(CASPT2//CASSCF):MM(AMBER) study

Faraday discussions, 2018, Vol.207, p.375-387

2018

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On the Simulation of Two‐dimensional Electronic Spectroscopy of Indole‐containing Peptides

Photochemistry and photobiology, 2017-11, Vol.93 (6), p.1368-1380

2017

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On the Importance of Ligand-Centered Excited States in the Emission of Cyclometalated Ir(III) Complexes

Inorganic chemistry, 2021-09, Vol.60 (17), p.13222-13232

2021

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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 : PCCP, 2020-12, Vol.22 (47), p.27617-27625

2020

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Quantum-Chemistry Study of the Photophysical Properties of 4‑Thiouracil and Comparisons with 2‑Thiouracil

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2024-03, Vol.128 (12), p.2273-2285

2024

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Pyrene, a Test Case for Deep-Ultraviolet Molecular Photophysics

The journal of physical chemistry letters, 2019-06, Vol.10 (12), p.3481-3487

2019

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Molecular Basis of the Chemiluminescence Mechanism of Luminol

Chemistry : a European journal, 2019-04, Vol.25 (20), p.5202-5213

2019

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Essential on the Photophysics and Photochemistry of the lndole Chromophore by Using a Totally Unconstrained Theoretical Approach

Journal of chemical theory and computation, 2011-12, Vol.7 (12), p.4088

2011

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Cover Feature: Molecular Basis of the Chemiluminescence Mechanism of Luminol (Chem. Eur. J. 20/2019)

Chemistry : a European journal, 2019-04, Vol.25 (20), p.5102-5102

2019

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Photoinduced formation mechanism of the thymine-thymine (6-4) adduct in DNA; a QM(CASPT2//CASSCF):MM(AMBER) studyElectronic supplementary information (ESI) available. See DOI: 10.1039/c7fd00202e

2018-04

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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 : PCCP, 2020-09, Vol.22 (35), p.237-242

2020

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Azole-containing cationic bis-cyclometallated iridium() isocyanide complexes: a theoretical insight into the emission energy and emission efficiency

Dalton transactions : an international journal of inorganic chemistry, 2019-07, Vol.48 (26), p.9725-9733

2019

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On the photorelease of nitric oxide by nitrobenzene derivatives: A CASPT2//CASSCF model

Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table

Modeling the high-energy electronic state manifold of adenine: Calibration for nonlinear electronic spectroscopy

Toward the Understanding of the Photophysics and Photochemistry of 1‑Nitronaphthalene under Solar Radiation: The First Theoretical Evidence of a Photodegradation Intramolecular Rearrangement Mechanism Involving the Triplet States

Governing the emissive properties of 4-aminobiphenyl-2-pyrimidine push–pull systems via the restricted torsion of N,N-disubstituted amino groups

A First Proposal on the Nitrobenzene Photorelease Mechanism of NO2 and Its Relation to NO Formation through a Roaming Mechanism

A First Proposal on the Nitrobenzene Photorelease Mechanism of NO 2 and Its Relation to NO Formation through a Roaming Mechanism

Combined Theoretical and Experimental Study of the Photophysics of Asulam

How important is roaming in the photodegradation of nitrobenzene?

Insights into the Complex Photophysics and Photochemistry of the Simplest Nitroaromatic Compound: A CASPT2//CASSCF Study on Nitrobenzene

On the Intrinsically Low Quantum Yields of Pyrimidine DNA Photodamages: Evaluating the Reactivity of the Corresponding Minimum Energy Crossing Points

Similar chemical structures, dissimilar triplet quantum yields: a CASPT2 model rationalizing the trend of triplet quantum yields in nitroaromatic systems

On the importance of equatorial metal-centered excited states in the photophysics of cyclometallated Ir() complexes

Photoinduced formation mechanism of the thymine-thymine (6-4) adduct in DNA; a QM(CASPT2//CASSCF):MM(AMBER) study

On the Simulation of Two‐dimensional Electronic Spectroscopy of Indole‐containing Peptides

On the Importance of Ligand-Centered Excited States in the Emission of Cyclometalated Ir(III) Complexes

On the chemiluminescence emission of luminol: protic and aprotic solvents and encapsulation to improve the properties in aqueous solution

Quantum-Chemistry Study of the Photophysical Properties of 4‑Thiouracil and Comparisons with 2‑Thiouracil

Pyrene, a Test Case for Deep-Ultraviolet Molecular Photophysics

Molecular Basis of the Chemiluminescence Mechanism of Luminol

Essential on the Photophysics and Photochemistry of the lndole Chromophore by Using a Totally Unconstrained Theoretical Approach

Cover Feature: Molecular Basis of the Chemiluminescence Mechanism of Luminol (Chem. Eur. J. 20/2019)

Photoinduced formation mechanism of the thymine-thymine (6-4) adduct in DNA; a QM(CASPT2//CASSCF):MM(AMBER) studyElectronic supplementary information (ESI) available. See DOI: 10.1039/c7fd00202e

Regiochemical memory in the adiabatic photolysis of thymine-derived oxetanes. A combined ultrafast spectroscopic and CASSCF/CASPT2 computational study

Azole-containing cationic bis-cyclometallated iridium() isocyanide complexes: a theoretical insight into the emission energy and emission efficiency

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