GABAS, FABIO
GABAS, FABIO
Dipartimento di Chimica
Vibrational spectroscopy simulation of solvation effects on a G-quadruplex
2023 D. Moscato, F. Gabas, R. Conte, M. Ceotto
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
Vibrational spectroscopy simulation of solvation effects on the g-quadruplex
2022 D. Moscato, F. Gabas, R. Conte, M. Ceotto
Implementations of Semiclassical Approximations for Spectroscopic and Vibrational Eigenfunction Calculations
2022 R. Conte, C.D. Aieta, F. Gabas, G. Bertaina, M. Cazzaniga, A. Rognoni, M. Gandolfi, G. Botti, D. Moscato, C. Lanzi, M. Ceotto
Quasiclassical vibrational spectroscopy of the g-Quadruplex With Empirical Force Fields
2022 D. Moscato, F. Gabas, R. Conte, M. Ceotto
Fighting the curse of dimensionality with semiclassical approaches in reaction rate theory
2022 C. Aieta, G. Mandelli, F. Gabas, M. Ceotto
Quantum Vibrational Spectroscopy of Explicitly Solvated Thymidine in Semiclassical Approximation
2022 F. Gabas, R. Conte, M. Ceotto
Zwitter Ionization of Glycine at Outer Space Conditions due to Microhydration by Six Water Molecules
2022 G. Schwaab, R. Pérez de Tudela, D. Mani, N. Pal, T. Kumar Roy, F. Gabas, R. Conte, L. Durán Caballero, M. Ceotto, D. Marx, M. Havenith
Quantum Anharmonic Calculations of Vibrational Spectra for Water Adsorbed on Titania Anatase(101) Surface: Dissociative versus Molecular Adsorption
2022 M. Cazzaniga, M. Micciarelli, F. Gabas, F. Finocchi, M. Ceotto
Semiclassical Molecular Dynamics for Spectroscopic Calculations
2021 M. Ceotto, R. Conte, C.D. Aieta, F. Gabas, G. Bertaina, M. Cazzaniga, A. Rognoni, M. Micciarelli, M. Gandolfi, G. Botti
Anharmonic calculations of vibrational spectra for molecular adsorbates : A divide-and-conquer semiclassical molecular dynamics approach
2021 M. Cazzaniga, M. Micciarelli, F. Gabas, F. Finocchi, M. Ceotto
Anharmonic calculations of vibrational spectra for molecular adsorbates : A divide-and-conquer semiclassical molecular dynamics approach
2021 M. Cazzaniga, M. Micciarelli, F. Moriggi, A.N. Mahmoud, F. Gabas, M. Ceotto
Semiclassical Initial Value Representation Molecular Dynamics for Spectroscopy
2021 R. Conte, C.D. Aieta, F. Gabas, G. Bertaina, M. Cazzaniga, A. Rognoni, M. Gandolfi, G. Botti, G. Mandelli, D. Moscato, C. Lanzi, M. Ceotto
Anharmonic calculations of vibrational spectra for molecular adsorbates: A divide-and-conquer semiclassical molecular dynamics approach
2020 M. Cazzaniga, M. Micciarelli, F. Moriggi, A. Mahmoud, F. Gabas, M. Ceotto
Semiclassical Vibrational Spectroscopy of Biological Molecules Using Force Fields
2020 F. Gabas, R. Conte, M. Ceotto
Semiclassical molecular dynamics for spectroscopic calculations of high dimensional and condensed phase molecular systems
2019 M. Ceotto, R. Conte, G. Di Liberto, F. Gabas, M. Micciarelli, C. Aieta, G. Bertaina, M. Cazzaniga, M. Buchholz, F. Grossmann, J. Suarez
Semiclassical Molecular Dynamics : a useful Tool for Spectroscopic Interpretation
2019 M. Ceotto, R. Conte, G. Di Liberto, F. Gabas, M. Micciarelli, C. Aieta, G. Bertaina, M. Cazzaniga, M. Buchholz, F. Grossmann, J. Suarez Corujo
Quantum Mechanical Methods for Spectroscopic Calculations of High Dimensional Molecular Systems
2019 M. Ceotto, R. Conte, G. Di Liberto, F. Gabas, M. Buchholz, F. Grossmann, M. Micciarelli, A. Jaime Suarez
Semiclassical Molecular Dynamics and its Implementation for Spectroscopic Calculations of High Dimensional and Condensed Phase Molecular Systems
2019 M. Ceotto, R. Conte, G. DI LIBERTO, F. Gabas, M. Buchholz, F. Grossmann, M. Micciarelli, A. Jaime Suarez