CEOTTO, MICHELE
CEOTTO, MICHELE
Dipartimento di Chimica
A time averaged semiclassical approach to IR spectroscopy
2024 C. Lanzi, C. Aieta, M. Ceotto, R. Conte
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
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
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
Semiclassical vibrational spectroscopy from small molecules to solvated biomolecules
2023 R. Conte, C. Lanzi, G. Botti, G. Mandelli, D. Moscato, C. Aieta, M. Ceotto
A semiclassical route to the calculation of IR spectra
2023 C. Lanzi, C. Aieta, M. Ceotto, R. Conte
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
Vibrational spectroscopy simulation of solvation effects on a G-quadruplex
2023 D. Moscato, F. Gabas, R. Conte, M. Ceotto
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
Anharmonicity and quantum nuclear effects in theoretical vibrational spectroscopy: A molecular tale of two cities
2023 R. Conte, C. Aieta, G. Botti, M. Cazzaniga, M. Gandolfi, C. Lanzi, G. Mandelli, D. Moscato, M. Ceotto
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
Using AS SCIVR to understand Proline vibrational spectrum
2023 G. Botti, C.D. Aieta, M. Ceotto, R. Conte
Elucidating NO x surface chemistry at the anatase (101) surface in TiO2 nanoparticles
2023 L. Mino, M. Cazzaniga, F. Moriggi, M. Ceotto
Molecular Dynamics of Artificially Pair-Decoupled Systems: An Accurate Tool for Investigating the Importance of Intramolecular Couplings
2023 M. Gandolfi, M. Ceotto
Investigating the Spectroscopy of the Gas Phase Guanine-Cytosine Pair: Keto versus Enol Configurations
2023 G. Botti, M. Ceotto, R. Conte
Anharmonic Assignment of the Water Octamer Spectrum in the OH Stretch Region
2023 D. Barbiero, G. Bertaina, M. Ceotto, R. Conte
Semiclassical Molecular Dynamics for Spectroscopy
2022 R. Conte, C. Aieta, F. Gabas, G. Bertaina, M. Cazzaniga, A. Rognoni, M. Gandolfi, G. Botti, G. Mandelli, G. DI LIBERTO, M. Micciarelli, D. Moscato, C. Lanzi, M. Ceotto
Semiclassical Molecular Dynamics as a useful tool for Nuclear Spectroscopy
2022 R. Conte, C. Aieta, F. Gabas, G. Bertaina, M. Cazzaniga, A. Rognoni, M. Gandolfi, G. Botti, G. Mandelli, D. Moscato, C. Lanzi, M. Ceotto
Quantum nuclear densities from semiclassical on-the-fly molecular dynamics
2022 C.D. Aieta, M. Micciarelli, G. Bertaina, M. Ceotto
Fighting the curse of dimensionality with semiclassical approaches in reaction rate theory
2022 C. Aieta, G. Mandelli, F. Gabas, M. Ceotto