Sfoglia per Autore
Anharmonic vibrational eigenfunctions and infrared spectra from semiclassical molecular dynamics
2018 M. Micciarelli, R. Conte, J. Suarez, M. Ceotto
Semiclassical Methods for Spectroscopic Calculations of High Dimensional Molecular Systems
2018 M. Ceotto, R. Conte, G. DI LIBERTO, F. Gabas, M. Buchholz, F. Grossmann, M. Micciarelli, G. Bertaina, J. SUAREZ CORUJO
Semiclassical Molecular Dynamics for Spectroscopic Calculations of Complex Systems
2019 M. Ceotto, R. Conte, G. Di Liberto, F. Gabas, M. Buchholz, F. Grossmann, M. Micciarelli, G. Bertaina, 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
An effective semiclassical approach to IR spectroscopy
2019 M. Micciarelli, 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
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
Anharmonic quantum nuclear densities from full dimensional vibrational eigenfunctions with application to protonated glycine
2020 C. Aieta, M. Micciarelli, G. Bertaina, M. Ceotto
Representing molecular ground and excited vibrational eigenstates with nuclear densities obtained from semiclassical initial value representation molecular dynamics
2020 C. Aieta, G. Bertaina, M. Micciarelli, 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 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
Quantum nuclear densities from semiclassical on-the-fly molecular dynamics
2021 C. Aieta, M. Micciarelli, G. Bertaina, M. Ceotto
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
Quantum nuclear densities from semiclassical on-the-fly molecular dynamics
2021 C. Aieta, M. Micciarelli, G. Bertaina, 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
Quantum nuclear densities from semiclassical on-the-fly molecular dynamics
2022 C.D. Aieta, M. Micciarelli, G. Bertaina, M. Ceotto
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
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