ANGELO
GIUSSANI -
AYUDANTE DOCTOR/A
University College London
Londres, Reino UnidoPublicaciones en colaboración con investigadores/as de University College London (10)
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
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
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
2019
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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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Quantum chemistry of the excited state: Recent trends in methods developments and applications
Photochemistry, Vol. 46, pp. 28-77
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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, Vol. 21, Núm. 20, pp. 10514-10522
2018
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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, Vol. 207, pp. 375-387
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Two-dimensional electronic spectroscopy as a tool for tracking molecular conformations in DNA/RNA aggregates
Faraday Discussions, Vol. 207, pp. 233-250
2017
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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, Vol. 13, Núm. 6, pp. 2777-2788