Daniele Loco

2017- Chemistry Sorbonne Université, Paris, France 
Theoretical Chemistry
"Daniele Loco"
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Loco D, Lagardère L, Cisneros GA, et al. (2019) Towards large scale hybrid QM/MM dynamics of complex systems with advanced point dipole polarizable embeddings. Chemical Science. 10: 7200-7211
Loco D, Buda F, Lugtenburg J, et al. (2018) The Dynamic Origin of Color Tuning in Proteins Revealed by a Carotenoid Pigment. The Journal of Physical Chemistry Letters. 2404-2410
Loco D, Jurinovich S, Cupellini L, et al. (2018) The modeling of the absorption lineshape for embedded molecules through a polarizable QM/MM approach. Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society For Photobiology
Loco D, Gelfand N, Jurinovich S, et al. (2017) Polarizable QM/Classical Approaches for the Modeling of Solvation Effects on UV-Vis and Fluorescence Spectra: An Integrated Strategy. The Journal of Physical Chemistry. A
Loco D, Lagardère L, Caprasecca S, et al. (2017) Hybrid QM/MM Molecular Dynamics with AMOEBA Polarizable Embedding. Journal of Chemical Theory and Computation. 13: 4025-4033
Loco D, Polack É, Caprasecca S, et al. (2016) A QM/MM Approach Using the AMOEBA Polarizable Embedding: From Ground State Energies to Electronic Excitations. Journal of Chemical Theory and Computation. 12: 3654-61
Loco D, Jurinovich S, Bari LD, et al. (2015) A fast but accurate excitonic simulation of the electronic circular dichroism of nucleic acids: how can it be achieved? Physical Chemistry Chemical Physics : Pccp
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