LIPPARINI, FILIPPO Statistiche
LIPPARINI, FILIPPO
DIPARTIMENTO DI CHIMICA E CHIMICA INDUSTRIALE
A Novel Implementation of CCSD Analytic Gradients Using Cholesky Decomposition of the Two-Electron Integrals and Abelian Point-Group Symmetry
2026-01-01 Melega, L.; Nottoli, T.; Gauss, J.; Lipparini, F.
Solvation Lies Within: Simulating Condensed-Phase Properties from Local Electronic Structures
2026-01-01 Schaltz, K. F.; Greiner, J.; Lipparini, F.; Eriksen, J. J.
A Polarizable CASSCF/MM Approach Using the Interface Between OpenMMPol Library and Cfour
2025-01-01 Nottoli, T.; Bondanza, M.; Lipparini, F.; Mennucci, B.
An Efficient and Robust Implementation of CASSCF Linear Response Theory
2025-01-01 Nottoli, T.; Lapi, L.; Alessandro, R.; Gianni, I.; Pes, F.; Lipparini, F.
Extending the MST Model to Large Biomolecular Systems: Parametrization of the ddCOSMO MST Continuum Solvation Model
2025-01-01 Cunha, R. D.; Romero‐téllez, S.; Lipparini, F.; Luque, F. J.; Curutchet, C.
Multicomponent Synthesis on a Diiron Platform of Stable Ferrabenzenes with Promising Anticancer Activity
2025-01-01 Benetti, Sara; Nottoli, Tommaso; Xiao, Zhimei; Funaioli, Tiziana; Zacchini, Stefano; Gasser, Gilles; Lipparini, Filippo; Marchetti, Fabio
QUEST Database of Highly-Accurate Excitation Energies
2025-01-01 Loos, P. -F.; Boggio-Pasqua, M.; Blondel, A.; Lipparini, F.; Jacquemin, D.
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 in Spin-Free Dirac-Coulomb Coupled-Cluster Calculations
2024-01-01 Uhlirova, T.; Cianchino, D.; Nottoli, T.; Lipparini, F.; Gauss, J.
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.