Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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1 |
Material Type: Artigo
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Hybrid QM/MM Molecular Dynamics with AMOEBA Polarizable EmbeddingLoco, Daniele ; Lagardère, Louis ; Caprasecca, Stefano ; Lipparini, Filippo ; Mennucci, Benedetta ; Piquemal, Jean-PhilipJournal of chemical theory and computation, 2017-09, Vol.13 (9), p.4025-4033 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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2 |
Material Type: Artigo
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Towards large scale hybrid QM/MM dynamics of complex systems with advanced point dipole polarizable embeddingsLoco, Daniele ; Lagardère, Louis ; Cisneros, Gérardo A ; Scalmani, Giovanni ; Frisch, Michael ; Lipparini, Filippo ; Mennucci, Benedetta ; Piquemal, Jean-PhilipChemical science (Cambridge), 2019-08, Vol.1 (3), p.72-7211 [Periódico revisado por pares]England: Royal Society of ChemistryTexto completo disponível |
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3 |
Material Type: Artigo
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An enhanced sampling QM/AMOEBA approach: The case of the excited state intramolecular proton transfer in solvated 3-hydroxyflavoneNottoli, Michele ; Bondanza, Mattia ; Lipparini, Filippo ; Mennucci, BenedettaThe Journal of chemical physics, 2021-05, Vol.154 (18), p.184107-184107 [Periódico revisado por pares]Melville: American Institute of PhysicsTexto completo disponível |
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4 |
Material Type: Artigo
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Uncovering the interactions driving carotenoid binding in light-harvesting complexesMascoli, Vincenzo ; Liguori, Nicoletta ; Cupellini, Lorenzo ; Elias, Eduard ; Mennucci, Benedetta ; Croce, RobertaChemical science (Cambridge), 2021-02, Vol.12 (14), p.5113-5122 [Periódico revisado por pares]England: Royal Society of ChemistryTexto completo disponível |
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5 |
Material Type: Artigo
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Multiscale Models for Light-Driven ProcessesNottoli, Michele ; Cupellini, Lorenzo ; Lipparini, Filippo ; Granucci, Giovanni ; Mennucci, BenedettaAnnual review of physical chemistry, 2021-04, Vol.72 (1), p.489-513 [Periódico revisado por pares]United States: Annual ReviewsTexto completo disponível |
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6 |
Material Type: Artigo
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Multiscale modelling of photoinduced processes in composite systemsMennucci, Benedetta ; Corni, StefanoNature reviews. Chemistry, 2019-05, Vol.3 (5), p.315-330 [Periódico revisado por pares]London: Nature Publishing GroupSem texto completo |
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7 |
Material Type: Artigo
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Perspective: Polarizable continuum models for quantum-mechanical descriptionsLipparini, Filippo ; Mennucci, BenedettaThe Journal of chemical physics, 2016-04, Vol.144 (16), p.160901-160901 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
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8 |
Material Type: Artigo
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Modeling environment effects on spectroscopies through QM/classical modelsMennucci, BenedettaPhysical chemistry chemical physics : PCCP, 2013-05, Vol.15 (18), p.6583-6594 [Periódico revisado por pares]Cambridge: Royal Society of ChemistryTexto completo disponível |
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9 |
Material Type: Artigo
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Classical Force Fields Tailored for QM Applications: Is It Really a Feasible Strategy?Andreussi, Oliviero ; Prandi, Ingrid G ; Campetella, Marco ; Prampolini, Giacomo ; Mennucci, BenedettaJournal of chemical theory and computation, 2017-10, Vol.13 (10), p.4636-4648 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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10 |
Material Type: Artigo
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EXAT: EXcitonic analysis toolJurinovich, Sandro ; Cupellini, Lorenzo ; Guido, Ciro A. ; Mennucci, BenedettaJournal of computational chemistry, 2018-02, Vol.39 (5), p.279-286 [Periódico revisado por pares]United States: Wiley Subscription Services, IncTexto completo disponível |