CEOTTO, MICHELE
CEOTTO, MICHELE
Dipartimento di Chimica
Solvation or not solvation: tunneling reactions of molecules embedded in cryogenic matrices
2025 G. Mandelli, C. Aieta, M. Ceotto
Quantumness of classical-trajectory-based methods for vibrational spectroscopy
2025 J. Zeng, R. Conte, M. Ceotto
Semiclassical description of nuclear quantum effects in solvated and condensed phase molecular systems
2025 R. Conte, G. Mandelli, G. Botti, D. Moscato, C. Lanzi, M. Cazzaniga, C. Aieta, M. Ceotto
A time averaged semiclassical approach to the computation of nonadiabatic vibronic absorption spectra Available
2025 D. Moscato, M. Gandolfi, M. Ceotto
A Time Averaged Approach to IR Spectroscopy
2025 C. Lanzi, C. Aieta, M. Ceotto, R. Conte
Theory of tunneling splitting in symmetric double well systems: Equivalence of the two-state approximation and the Herring formula
2025 E. Pollak, M. Ceotto
Exact factorization method for bound vibrational states: An analytical tool for accurate approximations
2025 M. Ceotto
Modified vibrational perturbation theory as applied to the collinear H + H2 and D + H2 reactions
2025 S. Upadhyayula, C. Aieta, M. Ceotto, E. Pollak
An extended semiclassical initial value representation approach to IR spectroscopy
2025 C. Lanzi, C. Aieta, M. Ceotto, R. Conte
Vibrational Spectroscopy Through Time Averaged Fourier Transform of Autocorrelated Molecular Dynamics Data: Introducing the Free SEMISOFT Web‐Platform
2025 R. Conte, M. Gandolfi, D. Moscato, C. Aieta, S. Valtolina, M. Ceotto
Quantum dynamics through a handful of semiclassical trajectories
2025 C. Aieta, M. Cazzaniga, D. Moscato, C. Lanzi, L. Bocchi, M.M. Costanza, M. Ceotto, R. Conte
Semiclassical reaction rate constant calculations: investigation of anharmonicity and quantum effects
2024 C. Aieta, M. Ceotto, A.E. Pollak
A Time Averaged Semiclassical Approach to IR Spectroscopy
2024 C. Lanzi, C. Aieta, M. Ceotto, R. Conte
Is Quantum Above-Barrier Reflection Important for Molecular Barrier Crossing Rates?
2024 C. Aieta, M. Ceotto, E. Pollak
A Perspective on the Investigation of Spectroscopy and Kinetics of Complex Molecular Systems with Semiclassical Approaches
2024 R. Conte, C. Aieta, M. Cazzaniga, M. Ceotto
A time averaged semiclassical approach to IR spectroscopy
2024 C. Lanzi, C. Aieta, M. Ceotto, R. Conte
The fate of the formic acid proton on the anatase TiO2(101) surface
2024 E. Fallacara, F. Finocchi, M. Cazzaniga, S. Chenot, S. Stankic, M. Ceotto
A web platform for time averaged Fourier transform of autocorrelated data
2024 M. Gandolfi, D. Moscato, C. Aieta, M. Pindaro, E. Campana, S. Valtolina, M. Ceotto
Unraveling Water Solvation Effects with Quantum Mechanics/Molecular Mechanics Semiclassical Vibrational Spectroscopy: The Case of Thymidine
2024 D. Moscato, G. Mandelli, M. Bondanza, F. Lipparini, R. Conte, B. Mennucci, M. Ceotto
From anharmonicity to Nuclear Quantum Effects in medium and large sized molecular systems
2023 D. Moscato, R. Conte, C. Aieta, G. Botti, M. Cazzaniga, M. Gandolfi, C. Lanzi, G. Mandelli, M. Ceotto