SCALMANI, GIOVANNI
SCALMANI, GIOVANNI
Scuola Normale Superiore
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Risultati 1 - 4 di 4 (tempo di esecuzione: 0.004 secondi).
Effective Inclusion of Mechanical and Electrical Anharmonicity in Excited Electronic States: VPT2-TDDFT Route
2017 Egidi, Franco; Williams-Young, David B.; Baiardi, Alberto; Bloino, Julien; Scalmani, Giovanni; Frisch, Michael J.; Li, Xiaosong; Barone, Vincenzo
Molecular dynamics simulations enforcing nonperiodic boundary conditions: new developments and application to the solvent shifts of nitroxide magnetic parameters
2022 Mancini, Giordano; Fusè, Marco; Lipparini, Filippo; Nottoli, Michele; Scalmani, Giovanni; Barone, Vincenzo
Polarizable Embedding Approach for the Analytical Calculation of Raman and Raman Optical Activity Spectra of Solvated Systems
2017 Giovannini, Tommaso; Olszowka, MARTA KINGA; Egidi, Franco; Cheeseman, James R; Scalmani, Giovanni; Cappelli, Chiara
Two-Component Noncollinear Time-Dependent Spin Density Functional Theory for Excited State Calculations
2017 Egidi, Franco; Sun, Shichao; Goings, Joshua J.; Scalmani, Giovanni; Frisch, Michael J.; Li, Xiaosong