MENNUCCI, BENEDETTA Statistiche
MENNUCCI, BENEDETTA
DIPARTIMENTO DI CHIMICA E CHIMICA INDUSTRIALE
13C Chemical Shielding Tensors: A Combined Solid-State NMR and DFT Study of the Role of Small-Amplitude Motions
2011-01-01 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
2012-01-01 D., Jacquemin; A., Planchat; C., Adamo; Mennucci, Benedetta
A different perspective for nonphotochemical quenching in plant antenna complexes
2021-01-01 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?
2016-01-01 Loco, Daniele; Jurinovich, Sandro; DI BARI, Lorenzo; Mennucci, Benedetta
A fast method for electronic couplings in embedded multichromophoric systems
2022-01-01 Cignoni, Edoardo; Cupellini, Lorenzo; Mennucci, Benedetta
A MCSCF study of the SN2 Menshutkin reaction in Aqueous Solution within the Polarizable Continuum Model
1998-01-01 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,
1997-01-01 E., Cances; Mennucci, Benedetta; Tomasi, Iacopo
A Photosensitive Liquid Crystal Studied by 14N NMR, 2H NMR, and DFT Calculations
2012-01-01 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
2020-01-01 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
2018-01-01 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
2016-01-01 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
2017-01-01 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
2017-01-01 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
2005-01-01 Cappelli, Chiara; Mennucci, Benedetta; R., Cammi; A., Rizzo
A quantum mechanical polarizable continuum model for the calculation of resonance Raman spectra in condensed phase
2007-01-01 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
2008-01-01 Mennucci, Benedetta; C. O., DA SILVA
A Second-Order, Quadratically Convergent Multiconfigurational Self-Consistent Field Polarizable Continuum Model for Equilibrium and Non-Equilibrium Solvation
2002-01-01 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
2012-01-01 Jurinovich, Sandro; Degano, Ilaria; Mennucci, Benedetta
A Subsystem TDDFT Approach for Solvent Screening Eects on Excitation Energy Transfer Couplings
2010-01-01 Neugebauer, J; Curutchet, C; MUNOZ LOSA, A; Mennucci, Benedetta
A synthetic oxygen sensor for plants based on animal hypoxia signaling
2019-01-01 Iacopino, S.; Jurinovich, S.; Cupellini, L.; Piccinini, L.; Cardarelli, F.; Perata, P.; Mennucci, B.; Giuntoli, B.; Licausi, F.