LIPPARINI, FILIPPO Statistiche
LIPPARINI, FILIPPO
DIPARTIMENTO DI CHIMICA E CHIMICA INDUSTRIALE
Breaking the Rules: On the Relative Stability of Some Methylencyclopropane and Methylcyclopropene Derivatives
2024-01-01 Santalucia, D.; Bondanza, M.; Lipparini, F.; Ripszam, M.; Rossi, N.; Mandoli, A.
Changing aromatic properties through stacking: the face-to-face dimer of Ni(ii) bis(pentafluorophenyl)norcorrole
2024-01-01 Wang, Qian; Sundholm, Dage; Gauss, Jürgen; Nottoli, Tommaso; Lipparini, Filippo; Kino, Shota; Ukai, Shusaku; Fukui, Norihito; Shinokubo, Hiroshi
Cholesky Decomposition-Based Implementation of Relativistic Two-Component Coupled-Cluster Methods for Medium-Sized Molecules
2024-01-01 Zhang, C.; Lipparini, F.; Stopkowicz, S.; Gauss, J.; Cheng, L.
ddX: Polarizable continuum solvation from small molecules to proteins
2024-01-01 Nottoli, M.; Herbst, M. F.; Mikhalev, A.; Jha, A.; Lipparini, F.; Stamm, B.
Geometric Optimization of Restricted-Open and Complete Active Space Self-Consistent Field Wave Functions
2024-01-01 Vidal, L.; Nottoli, T.; Lipparini, F.; Cances, E.
Importance of Polarizable Embedding for Computing Optical Rotation: The Case of Camphor in Ethanol
2024-01-01 Nottoli, M.; Vanich, E.; Cupellini, L.; Scalmani, G.; Pelosi, C.; Lipparini, F.
MBE-CASSCF Approach for the Accurate Treatment of Large Active Spaces
2024-01-01 Greiner, J; Gianni', I; Nottoli, T; Lipparini, F; Eriksen, Jj; Gauss, J
Raman, surface‐enhanced Raman and density functional theory analyses of poorly soluble pharmaceuticals in water
2024-01-01 D'Arcangelo, G.; Legnaioli, S.; Lipparini, F.; Campanella, B.
Reference CC3 Excitation Energies for Organic Chromophores: Benchmarking TD-DFT, BSE/GW, and Wave Function Methods
2024-01-01 Knysh, I; Lipparini, F; Blondel, A; Duchemin, I; Blase, X; Loos, Pf; Jacquemin, D
The OpenMMPol library for polarizable QM/MM calculations of properties and dynamics
2024-01-01 Bondanza, Mattia; Nottoli, Tommaso; Nottoli, Michele; Cupellini, Lorenzo; Lipparini, Filippo; Mennucci, Benedetta
Transition Metal-Driven Selectivity in Direct C−H Arylation of Imidazo[2,1-b]Thiazole
2024-01-01 Del Vecchio, A.; Rosadoni, E.; Ballerini, L.; Cuzzola, A.; Lipparini, F.; Ronchi, P.; Guariento, S.; Biagetti, M.; Lessi, M.; Bellina, F.
Unraveling Water Solvation Effects with Quantum Mechanics/Molecular Mechanics Semiclassical Vibrational Spectroscopy: The Case of Thymidine
2024-01-01 Moscato, D.; Mandelli, G.; Bondanza, M.; Lipparini, F.; Conte, R.; Mennucci, B.; Ceotto, M.
A novel coupled-cluster singles and doubles implementation that combines the exploitation of point-group symmetry and Cholesky decomposition of the two-electron integrals
2023-01-01 Nottoli, T.; Gauss, J.; Lipparini, F.
A Quasi Time-Reversible Scheme Based on Density Matrix Extrapolation on the Grassmann Manifold for Born-Oppenheimer Molecular Dynamics
2023-01-01 Pes, Federica; Polack, Étienne; Mazzeo, Patrizia; Dusson, Geneviève; Stamm, Benjamin; Lipparini, Filippo
A robust, open-source implementation of the locally optimal block preconditioned conjugate gradient for large eigenvalue problems in quantum chemistry
2023-01-01 Nottoli, Tommaso; Gianni', Ivan; Levitt, A.; Lipparini, Filippo
A ΔSCF model for excited states within a polarisable embedding
2023-01-01 Nottoli, M.; Mazzeo, P.; Lipparini, F.; Cupellini, L.; Mennucci, B.
Assessing Implicit and Explicit Polarizable Solvation Models for Nuclear-Electronic Orbital Systems: Quantum Proton Polarization and Solvation Energetics
2023-01-01 Lambros, E.; Link, B.; Chow, M.; Lipparini, F.; Hammes-Schiffer, S.; Li, X.
Fast Method for Excited-State Dynamics in Complex Systems and Its Application to the Photoactivation of a Blue Light Using Flavin Photoreceptor
2023-01-01 Mazzeo, P.; Hashem, S.; Lipparini, F.; Cupellini, L.; Mennucci, B.
Heptazine, Cyclazine, and Related Compounds: Chemically-Accurate Estimates of the Inverted Singlet-Triplet Gap
2023-01-01 Loos, P. -F.; Lipparini, F.; Jacquemin, D.
Linear Response Equations Revisited: A Simple and Efficient Iterative Algorithm
2023-01-01 Alessandro, R.; Gianni', I.; Pes, F.; Nottoli, T.; Lipparini, F.