CEOTTO, MICHELE
CEOTTO, MICHELE
Dipartimento di Chimica
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 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
Is Quantum Above-Barrier Reflection Important for Molecular Barrier Crossing Rates?
2024 C. Aieta, M. Ceotto, E. Pollak
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
Semiclassical reaction rate constant calculations: investigation of anharmonicity and quantum effects
2024 C. Aieta, M. Ceotto, A.E. Pollak
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
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
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 time averaged semiclassical approach to IR spectroscopy
2024 C. Lanzi, C. Aieta, M. Ceotto, R. Conte
The first HyDRA challenge for computational vibrational spectroscopy
2023 T.L. Fischer, M. Bödecker, S.M. Schweer, J. Dupont, V. Lepère, A. Zehnacker-Rentien, M.A. Suhm, B. Schröder, T. Henkes, D.M. Andrada, R.M. Balabin, H.K. Singh, H.P. Bhattacharyya, M. Sarma, S. Käser, K. Töpfer, L.I. Vazquez-Salazar, E.D. Boittier, M. Meuwly, G. Mandelli, C. Lanzi, R. Conte, M. Ceotto, F. Dietrich, V. Cisternas, R. Gnanasekaran, M. Hippler, M. Jarraya, M. Hochlaf, N. Viswanathan, T. Nevolianis, G. Rath, W.A. Kopp, K. Leonhard, R.A. Mata
Molecular Dynamics of Artificially Pair-Decoupled Systems: An Accurate Tool for Investigating the Importance of Intramolecular Couplings
2023 M. Gandolfi, M. Ceotto
Elucidating NO x surface chemistry at the anatase (101) surface in TiO2 nanoparticles
2023 L. Mino, M. Cazzaniga, F. Moriggi, M. Ceotto
MultiWell-2020 software suite
2023 J.R. Barker, T.L. Nguyen, J.F. Stanton, C. Aieta, M. Ceotto, F. Gabas, G. Mandelli, T.J.D. Kumar, C.G.L. Li, L.L. Lohr, A. Maranzana, N.F. Ortiz, J.M. Preses, J.M. Simmie, J.A. Sonk, P.J. Stimac
Using AS SCIVR to understand Proline vibrational spectrum
2023 G. Botti, C.D. Aieta, M. Ceotto, R. Conte
Vibrational spectroscopy simulation of solvation effects on a G-quadruplex
2023 D. Moscato, F. Gabas, R. Conte, M. Ceotto
Anharmonic Assignment of the Water Octamer Spectrum in the OH Stretch Region
2023 D. Barbiero, G. Bertaina, M. Ceotto, R. Conte
Oxygen Vacancies in the Spotlight: On the Engineering of Intrinsic Defects in Highly Defective Tio2 Photocatalysts
2023 D. Meroni, C. Cionti, L. Silvestrini, N. Gal, M. Cazzaniga, M. Ceotto, G. Buccella, L. LO PRESTI, G. Cappelletti
Oxygen Vacancies in the Spotlight: On the Engineering of Intrinsic Defects in Highly Defective Tio2 Photocatalysts
2023 D. Meroni, C. Cionti, L. Silvestrini, N. Gal, M. Cazzaniga, M. Ceotto, G. Buccella, L. LO PRESTI, G. Cappelletti
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
Investigating the Spectroscopy of the Gas Phase Guanine-Cytosine Pair: Keto versus Enol Configurations
2023 G. Botti, M. Ceotto, R. Conte