Search - CEA - Commissariat à l’énergie atomique et aux énergies alternatives Access content directly

Filter your results

4 Results
authFullName_s : Fabrizio Santoro

Solvent effect on the energetics of proton coupled electron transfer in guanine-cytosine pair in chloroform by mixed explicit and implicit solvation models

Lara Martinez-Fernandez , Giacomo Prampolini , Javier Cerezo , Yanli Liu , Fabrizio Santoro , et al.
Chemical Physics, 2018, 515, pp.493-501. ⟨10.1016/j.chemphys.2018.07.012⟩
Journal articles cea-01978120v1

Mixed Quantum/Classical Method for Nonadiabatic Quantum Dynamics in Explicit Solvent Models: The ππ */nπ* Decay of Thymine in Water as a Test Case

Na Cerezo , Na Liu , Na Lin , Xian Zhao , Roberto Improta , et al.
Journal of Chemical Theory and Computation, 2018, 14 (2), pp.820 - 832. ⟨10.1021/acs.jctc.7b01015⟩
Journal articles cea-01741540v1

Multistate coupled quantum dynamics of photoexcited cytosine in gas-phase: Nonadiabatic absorption spectrum and ultrafast internal conversions

Yanli Liu , Lara Martinez-Fernandez , Javier Cerezo , Giacomo Prampolini , Roberto Improta , et al.
Chemical Physics, 2018, 515, pp.452-463. ⟨10.1016/j.chemphys.2018.08.030⟩
Journal articles cea-01934831v1

Unveiling Excited-State Chirality of Binaphthols by Femtosecond Circular Dichroism and Quantum Chemical Calculations

Marco Schmid , Lara Martinez-Fernandez , Dimitra Markovitsi , Fabrizio Santoro , François Hache , et al.
Journal of Physical Chemistry Letters, 2019, 10 (14), pp.4089-4094. ⟨10.1021/acs.jpclett.9b00948⟩
Journal articles cea-02284159v1