Michele Nottoli

Università di Pisa 
Theoretical Chemistry
"Michele Nottoli"
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Nottoli M, Nifosì R, Mennucci B, et al. (2021) Energy, Structures, and Response Properties with a Fully Coupled QM/AMOEBA/ddCOSMO Implementation. Journal of Chemical Theory and Computation
Macaluso V, Hashem S, Nottoli M, et al. (2021) Ultrafast Transient Infrared Spectroscopy of Photoreceptors with Polarizable QM/MM Dynamics. The Journal of Physical Chemistry. B
Nottoli M, Bondanza M, Lipparini F, et al. (2021) An enhanced sampling QM/AMOEBA approach: The case of the excited state intramolecular proton transfer in solvated 3-hydroxyflavone. The Journal of Chemical Physics. 154: 184107
Nottoli M, Cupellini L, Lipparini F, et al. (2021) Multiscale Models for Light-Driven Processes. Annual Review of Physical Chemistry
Nottoli M, Lipparini F. (2020) General formulation of polarizable embedding models and of their coupling. The Journal of Chemical Physics. 153: 224108
Nottoli M, Mennucci B, Lipparini F. (2020) Excited state Born-Oppenheimer molecular dynamics through coupling between time dependent DFT and AMOEBA. Physical Chemistry Chemical Physics : Pccp
Bondanza M, Nottoli M, Cupellini L, et al. (2020) Polarizable embedding QM/MM: the future gold standard for complex (bio)systems? Physical Chemistry Chemical Physics : Pccp
Cardoso Ramos F, Nottoli M, Cupellini L, et al. (2019) The molecular mechanisms of light adaption in light-harvesting complexes of purple bacteria revealed by a multiscale modeling. Chemical Science. 10: 9650-9662
Nottoli M, Stamm B, Scalmani G, et al. (2019) Quantum calculations in solution of energies, structures and properties with a domain decomposition polarizable continuum model. Journal of Chemical Theory and Computation
Cupellini L, Bondanza M, Nottoli M, et al. (2019) Successes & challenges in the atomistic modeling of light-harvesting and its photoregulation. Biochimica Et Biophysica Acta. Bioenergetics
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