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All papers authored by Daniele Loco

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2020 Daniele Loco

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, Ricardo Spezia

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, François Cartier, Isabelle Chataigner

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, Jean-Philip Piquemal

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Solvation effects drive the selectivity in Diels-Alder reaction under hyperbaric conditions

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2019 Daniele Loco

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, Louis Lagardère, Gérardo A. Cisneros

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, Giovanni Scalmani, Michael Frisch, Filippo Lipparini

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, Benedetta Mennucci

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, Jean-Philip Piquemal

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Towards large scale hybrid QM/MM dynamics of complex systems with advanced point dipole polarizable embeddings

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2018 Daniele Loco

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, Lorenzo Cupellini

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Modeling the absorption lineshape of embedded systems from molecular dynamics: A tutorial review

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Daniele Loco

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, Francesco Buda, Johan Lugtenburg, Benedetta Mennucci

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The Dynamic Origin of Color Tuning in Proteins Revealed by a Carotenoid Pigment

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2017 Daniele Loco

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, Natalia Gelfand

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, Sandro Jurinovich, Stefano Protti

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, Alberto Mezzetti, Benedetta Mennucci

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Polarizable QM/Classical Approaches for the Modeling of Solvation Effects on UV–Vis and Fluorescence Spectra: An Integrated Strategy

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Daniele Loco

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, Louis Lagardère, Stefano Caprasecca, Filippo Lipparini

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, Benedetta Mennucci

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, Jean-Philip Piquemal

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Hybrid QM/MM Molecular Dynamics with AMOEBA Polarizable Embedding

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