IMPROTA, ROBERTO
IMPROTA, ROBERTO
Istituto di Biostrutture e Bioimmagini - IBB - Sede Napoli
Non-adiabatic direct quantum dynamics using force fields: Toward solvation
2024 Cigrang, L. L. E.; Green, J. A.; Gómez, S.; Cerezo, J.; Improta, R.; Prampolini, G.; Santoro, F.; Worth, G. A.
The photoactivated dynamics of dGpdC and dCpdG sequences in DNA: a comprehensive quantum mechanical study
2024 Martinez-Fernandez, L.; Green, J. A.; Esposito, L.; Jouybari, M. Y.; Zhang, Y.; Santoro, F.; Kohler, B.; Improta, R.
Computing the electronic circular dichroism spectrum of DNA quadruple helices of different topology: A critical test for a generalized excitonic model based on a fragment diabatization
2023 Asha, H; Green, Ja; Esposito, L; Santoro, F; Improta, R
Shedding Light on the Photophysics and Photochemistry of I-Motifs Using Quantum Mechanical Calculations
2023 Improta, R.
The Resonance Raman Spectrum of Cytosine in Water: Analysis of the Effect of Specific Solute-Solvent Interactions and Non-Adiabatic Couplings
2023 Xu, Qiushuang; Liu, Y; Wang, M; Cerezo, J; Improta, R; Santoro, F
Effect of the Thermal Fluctuations of the Photophysics of GC and CG DNA Steps: A Computational Dynamical Study
2022 Asha, Haritha; A Green, James; Esposito, Luciana; Martinezfernandez, Lara; Santoro, Fabrizio; Improta, Roberto
Excited state absorption of DNA bases in the gas phase and in chloroform solution: a comparative quantum mechanical study
2022 Fedotov Daniil, A; Paul Alexander, C; Koch, Henrik; Santoro, Fabrizio; Coriani, Sonia; Improta, Roberto
Nonadiabatic Vibrational Resonance Raman Spectra from Quantum Dynamics Propagations with LVC Models. Application to Thymine
2022 Xu, Q.; Aranda, D.; Yaghoubi Jouybari, M.; Liu, Y.; Wang, M.; Cerezo, J.; Improta, R.; Santoro, F.
Nucleic Acids as a Playground for the Computational Study of the Photophysics and Photochemistry of Multichromophore Assemblies
2022 Martinez Fernandez, L; Santoro, F; Improta, R
Solvent Effects on Ultrafast Charge Transfer Population: Insights from the Quantum Dynamics of Guanine-Cytosine in Chloroform
2022 A Green, James; Gomez Rodriguez, Sandra; A Worth, Graham; Santoro, Fabrizio; Improta, Roberto
Excited-State Absorption of Uracil in the Gas Phase: Mapping the Main Decay Paths by Different Electronic Structure Methods
2021 A Fedotov, Daniil; C Paul, Alexander; Posocco, Paolo; Santoro, Fabrizio; Garavelli, Marco; Koch, Henrik; Coriani, Sonia; Improta, Roberto
Excitonic Model for Strongly Coupled Multichromophoric Systems: The Electronic Circular Dichroism Spectra of Guanine Quadruplexes as Test Cases
2021 Green, Ja; Asha, H; Santoro, F; Improta, R
Fragment Diabatization Linear Vibronic Coupling Model for Quantum Dynamics of Multichromophoric Systems: Population of the Charge-Transfer State in the Photoexcited Guanine-Cytosine Pair
2021 Green, Ja; Yaghoubi Jouybari, M; Asha, H; Santoro, F; Improta, R
Nonadiabatic Absorption Spectra and Ultrafast Dynamics of DNA and RNA Photoexcited Nucleobases
2021 Green, J. A.; Jouybari, M. Y.; Aranda, D.; Improta, R.; Santoro, F.
Quantum and semiclassical dynamical studies of nonadiabatic processes in solution: achievements and perspectives
2021 Santoro, F.; Green, J. A.; Martinez Fernandez, L.; Cerezo, J.; Improta, R.
The Ultrafast Quantum Dynamics of Photoexcited Adenine-Thymine Basepair Investigated with a Fragment-based Diabatization and a Linear Vibronic Coupling Model
2021 Yaghoubi Jouybari, M.; Green, J. A.; Improta, R.; Santoro, F.
Quantum dynamics of the pi pi*/n pi* decay of the epigenetic nucleobase 1,5-dimethyl-cytosine in the gas phase
2020 Yaghoubi Jouybari, Martha; Liu, Yanli; Improta, Roberto; Santoro, Fabrizio
Quantum dynamics of the ππ*/nπ* decay of the epigenetic nucleobase 1,5-dimethyl-cytosine in the gas phase
2020 YAGHOUBI JOUYBARI, Martha; Liu, Yanli; Improta, Roberto; Santoro, Fabrizio
Studying the excited electronic states of guanine rich DNA quadruplexes by quantum mechanical methods: main achievements and perspectives
2020 MartinezFernandez, Lara; Esposito, Luciana; Improta, Roberto
Ultrafast Dynamics of the Two Lowest Bright Excited States of Cytosine and 1-Methylcytosine: A Quantum Dynamical Study
2020 Yaghoubi Jouybari, M; Liu, Y; Improta, R; Santoro, F