Jouybari MY, Green JA, Improta R, Santoro F
The Ultrafast Quantum Dynamics of Photoexcited Adenine-Thymine Basepair Investigated with a Fragment-based Diabatization and a Linear Vibronic Coupling Model
J Phys Chem A (ISSN: 1089-5639linking), 2021 Oct 14; 125(40): 8912-8924.

Green JA, Yaghoubi Jouybari M, 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
J Chem Theory Comput (ISSN: 1549-9618linking, 1549-9626electronic), 2021 Aug 10; 17(8): 4660-4674.

Green JA, Jouybari MY, Aranda D, Improta R, Santoro F
Nonadiabatic Absorption Spectra and Ultrafast Dynamics of DNA and RNA Photoexcited Nucleobases
Molecules (ISSN: 1420-3049linking, 1420-3049electronic), 2021 Mar 20; 26(6): N/D-N/D.

Cerezo J, Liu Y, Lin N, Zhao X, Improta R, Santoro F
Mixed Quantum/Classical Method for Nonadiabatic Quantum Dynamics in Explicit Solvent Models: The pipi*/npi* Decay of Thymine in Water as a Test Case
J Chem Theory Comput (ISSN: 1549-9626electronic, 1549-9618linking), 2018 Feb 13; 14(2): 820-832.

Liu Y, Cerezo J, Lin N, Zhao X, Improta R, Santoro F
Comparison of the results of a mean-field mixed quantum/classical method with full quantum predictions for nonadiabatic dynamics: application to the ππ∗/ nπ∗decay of thymine
Theor Chem Acc (ISSN: 1432-881x), 2018; 137(3): N/D-N/D.

Liu Y, Martínez-fernández L, Cerezo J, Prampolini G, Improta R, Santoro F
Multistate coupled quantum dynamics of photoexcited cytosine in gas-phase: Nonadiabatic absorption spectrum and ultrafast internal conversions
Chem Phys (ISSN: 0301-0104), 2018; 515: 452-463.

Improta R, Barone V, Lami A, Santoro F
Quantum dynamics of the ultrafast ππ*/nπ* population transfer in uracil and 5-fluoro-uracil in water and acetonitrile
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2009 Oct 29; 113(43): 14491-14503.

Santoro F, Barone V, Improta R, Lami A, Olivucci M
Quantum dynamics of ultrafast photoinduced processes in biological molecules
Aip Conf Proc (ISSN: 0094-243x), 2007; 963(2): 667-670.

Nuernberger P, Vogt G, Gerber G, Improta R, Santoro F
Femtosecond study on the isomerization dynamics of NK88. I. Ground-state dynamics after photoexcitation
J Chem Phys (ISSN: 0021-9606, 0021-9606print, 0897-690online), 2006 Jul 28; 125(4): 44512-44544.