MENNUCCI, BENEDETTA Statistiche

MENNUCCI, BENEDETTA  

DIPARTIMENTO DI CHIMICA E CHIMICA INDUSTRIALE  

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Titolo Data di pubblicazione Autore(i) File
13C Chemical Shielding Tensors: A Combined Solid-State NMR and DFT Study of the Role of Small-Amplitude Motions 1-gen-2011 Carignani, E; Borsacchi, Silvia; Marini, A; Mennucci, Benedetta; Geppi, Marco
A Balanced TD-DFT Assessment of Functionals for Optical 0-0 Transitions in Solvated Dyes 1-gen-2012 D., Jacquemin; A., Planchat; C., Adamo; Mennucci, Benedetta
A different perspective for nonphotochemical quenching in plant antenna complexes 1-gen-2021 Cignoni, E.; Lapillo, M.; Cupellini, L.; Acosta-Gutierrez, S.; Gervasio, F. L.; Mennucci, B.
A fast but accurate excitonic simulation of the electronic circular dichroism of nucleic acids: How can it be achieved? 1-gen-2016 Loco, Daniele; Jurinovich, Sandro; DI BARI, Lorenzo; Mennucci, Benedetta
A fast method for electronic couplings in embedded multichromophoric systems 1-gen-2022 Cignoni, Edoardo; Cupellini, Lorenzo; Mennucci, Benedetta
A MCSCF study of the SN2 Menshutkin reaction in Aqueous Solution within the Polarizable Continuum Model 1-gen-1998 Amovilli, C.; Mennucci, Benedetta; Floris, F. M.
A New Integral Equation Formalism for the Polarizable Continuum Model: Theoretical Background and Applications to Isotropic and Anisotropic Dielectrics, 1-gen-1997 E., Cances; Mennucci, Benedetta; Tomasi, Iacopo
A Photosensitive Liquid Crystal Studied by 14N NMR, 2H NMR, and DFT Calculations 1-gen-2012 Marini, A; Domenici, Valentina; Mennucci, Benedetta; Zupancic, B; Zalar, B; Veracini, CARLO ALBERTO
A polarisable QM/MM description of NMR chemical shifts of a photoreceptor protein 1-gen-2020 Hashem, S.; Cupellini, L.; Lipparini, F.; Mennucci, B.
A polarizable QM/MM description of environment effects on NMR shieldings: from solvated molecules to pigment–protein complexes 1-gen-2018 Caprasecca, Stefano; Cupellini, Lorenzo; Jurinovich, Sandro; Loco, Daniele; Lipparini, Filippo; Mennucci, Benedetta
A QM/MM Approach Using the AMOEBA Polarizable Embedding: From Ground State Energies to Electronic Excitations 1-gen-2016 Loco, Daniele; Polack, Étienne; Caprasecca, Stefano; Lagardère, Louis; Lipparini, Filippo; Piquemal, Jean Philip; Mennucci, Benedetta
A Quantum Chemical Interpretation of Two-Dimensional Electronic Spectroscopy of Light-Harvesting Complexes 1-gen-2017 Segatta, Francesco; Cupellini, Lorenzo; Jurinovich, Sandro; Mukamel, Shaul; Dapor, Maurizio; Taioli, Simone; Garavelli, Marco; Mennucci, Benedetta
A quantum chemical investigation of the solvatochromism of a phthalocyanine within a lipid bilayer: Comparison between continuum and atomistic models 1-gen-2017 Bettanin, Fernanda; Jurinovich, Sandro; Caprasecca, Stefano; Mennucci, Benedetta; Homem de Mello, Paula
A quantum mechanical Polarizable Continuum Model approach to the Kerr effect of pure liquids 1-gen-2005 Cappelli, Chiara; Mennucci, Benedetta; R., Cammi; A., Rizzo
A quantum mechanical polarizable continuum model for the calculation of resonance Raman spectra in condensed phase 1-gen-2007 Mennucci, Benedetta; Cappelli, Chiara; Cammi, R; Tomasi, Iacopo
A quantum mechanical strategy to investigate the structure of liquids: the cases of acetonitrile, formamide and their mixture 1-gen-2008 Mennucci, Benedetta; C. O., DA SILVA
A Second-Order, Quadratically Convergent Multiconfigurational Self-Consistent Field Polarizable Continuum Model for Equilibrium and Non-Equilibrium Solvation 1-gen-2002 R., Cammi; Mennucci, Benedetta; K., Ruud; L., Frediani; K. V., Mikkelsen; Tomasi, Iacopo
A Strategy for the Study of the Interactions between Metal-Dyes and Proteins with QM/MM Approaches: the Case of Iron-Gall Dye 1-gen-2012 Jurinovich, Sandro; Degano, Ilaria; Mennucci, Benedetta
A Subsystem TDDFT Approach for Solvent Screening Eects on Excitation Energy Transfer Couplings 1-gen-2010 Neugebauer, J; Curutchet, C; MUNOZ LOSA, A; Mennucci, Benedetta
A synthetic oxygen sensor for plants based on animal hypoxia signaling 1-gen-2019 Iacopino, S.; Jurinovich, S.; Cupellini, L.; Piccinini, L.; Cardarelli, F.; Perata, P.; Mennucci, B.; Giuntoli, B.; Licausi, F.