Real time propagation of the exact two component time-dependent density functional theory von Goings, Joshua J., Kasper, Joseph M., Egidi, Franco, Sun, Shichao, Li, Xiaosong

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A polarizable three-layer frozen density embedding/molecular mechanics approach von Egidi, Franco, Angelico, Sara, Lafiosca, Piero, Giovannini, Tommaso, Cappelli, Chiara

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The consequences of improperly describing oscillator strengths beyond the electric dipole approximation von Lestrange, Patrick J, Egidi, Franco, Li, Xiaosong

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The Optical Rotation of Methyloxirane in Aqueous Solution: A Never Ending Story? von Lipparini, Filippo, Egidi, Franco, Cappelli, Chiara, Barone, Vincenzo

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Current development of noncollinear electronic structure theory von Goings, Joshua J., Egidi, Franco, Li, Xiaosong

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Binding of SARS‐CoV‐2 to Cell Receptors: A Tale of Molecular Evolution von Gómez, Santiago A., Rojas‐Valencia, Natalia, Gómez, Sara, Egidi, Franco, Cappelli, Chiara, Restrepo, Albeiro

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Origin invariance in vibrational resonance Raman optical activity von Vidal, Luciano N, Egidi, Franco, Barone, Vincenzo, Cappelli, Chiara

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A benchmark study of electronic excitation energies, transition moments, and excited-state energy gradients on the nicotine molecule von Egidi, Franco, Segado, Mireia, Koch, Henrik, Cappelli, Chiara, Barone, Vincenzo

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Accurate structure, thermodynamics, and spectroscopy of medium-sized radicals by hybrid coupled cluster/density functional theory approaches: the case of phenyl radical von Barone, Vincenzo, Biczysko, Malgorzata, Bloino, Julien, Egidi, Franco, Puzzarini, Cristina

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Molecular spectroscopy of aqueous solutions: a theoretical perspective von Giovannini, Tommaso, Egidi, Franco, Cappelli, Chiara

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Theory and algorithms for chiroptical properties and spectroscopies of aqueous systems von Giovannini, Tommaso, Egidi, Franco, Cappelli, Chiara

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General Strategy for Computing Nonlinear Optical Properties of Large Neutral and Cationic Organic Chromophores in Solution von Benassi, Enrico, Egidi, Franco, Barone, Vincenzo

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Multiscale Frozen Density Embedding/Molecular Mechanics Approach for Simulating Magnetic Response Properties of Solvated Systems von Lafiosca, Piero, Rossi, Federico, Egidi, Franco, Giovannini, Tommaso, Cappelli, Chiara

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Calculation of Linear and Non-linear Electric Response Properties of Systems in Aqueous Solution: A Polarizable Quantum/Classical Approach with Quantum Repulsion Effects von Marrazzini, Gioia, Giovannini, Tommaso, Egidi, Franco, Cappelli, Chiara

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Multilevel Density Functional Theory von Marrazzini, Gioia, Giovannini, Tommaso, Scavino, Marco, Egidi, Franco, Cappelli, Chiara, Koch, Henrik

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Vibrational circular dichroism under the quantum magnifying glass: from the electronic flow to the spectroscopic observable von Fusè, Marco, Egidi, Franco, Bloino, Julien

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An efficient and robust procedure to calculate absorption spectra of aqueous charged species applied to NO von Uribe, Lina, Gómez, Sara, Giovannini, Tommaso, Egidi, Franco, Restrepo, Albeiro

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An efficient and robust procedure to calculate absorption spectra of aqueous charged species applied to NO 2 von Uribe, Lina, Gómez, Sara, Giovannini, Tommaso, Egidi, Franco, Restrepo, Albeiro

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Amide Spectral Fingerprints are Hydrogen Bonding-Mediated von Gómez, Sara, Bottari, Cettina, Egidi, Franco, Giovannini, Tommaso, Rossi, Barbara, Cappelli, Chiara

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Implementation of a graphical user interface for the virtual multifrequency spectrometer: The VMS-Draw tool von Licari, Daniele, Baiardi, Alberto, Biczysko, Malgorzata, Egidi, Franco, Latouche, Camille, Barone, Vincenzo

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