GABAS, FABIO

GABAS, FABIO  

Dipartimento di Chimica  

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Risultati 1 - 20 di 46 (tempo di esecuzione: 0.0 secondi).
Titolo Data di pubblicazione Autori Tipo File Abstract
A semiclassical investigation of glycine vibrational frequencies 2016 R. ConteF. GabasM. Ceotto Conference Object -
Ab-initio and force field molecular dynamics applied to vibrational spectroscopy: the case of Deoxyguanosine and Ac-Phe-Met-NH2 2018 F. GabasR. ConteM. Ceotto Conference Object -
An effective semiclassical approach to IR spectroscopy 2019 Micciarelli M.Gabas F.Conte R.Ceotto M. Article (author) -
An efficient computational approach for the calculation of the vibrational density of states 2016 F. GabasC. D. AietaM. Ceotto Conference Object -
An Efficient Computational Approach for the Calculation of the Vibrational Density of States 2016 AIETA, CHIARA DONATELLAGABAS, FABIOCEOTTO, MICHELE Article (author) -
Anharmonic calculations of vibrational spectra for molecular adsorbates : A divide-and-conquer semiclassical molecular dynamics approach 2021 Marco CazzanigaMarco MicciarelliFabio GabasMichele Ceotto + Conference Object -
Anharmonic calculations of vibrational spectra for molecular adsorbates : A divide-and-conquer semiclassical molecular dynamics approach 2021 Marco CazzanigaMarco MicciarelliAgnes MahmoudFabio GabasMichele Ceotto + Conference Object -
Anharmonic calculations of vibrational spectra for molecular adsorbates: A divide-and-conquer semiclassical molecular dynamics approach 2020 Cazzaniga M.Micciarelli M.Moriggi F.Mahmoud A.Gabas F.Ceotto M. Article (author) -
Deoxyguanosine and Ac-Phe-Met-NH2 vibrational spectra: a comparison between ab-initio and force field molecular dynamics 2018 F. GabasR. ConteM. Ceotto Conference Object -
Divide-and-Conquer Semiclassical Dynamics: A Viable Method for Vibrational Spectra Calculations of High Dimensional and Anharmonic Molecular Systems 2018 Di Liberto GiovanniGabas FabioConte RiccardoCeotto Michele Conference Object -
Divide-and-Conquer Semiclassical Dynamics: A Viable Route for Spectroscopic Calculations of High Dimensional Molecular Systems 2018 Giovanni Di LibertoRiccardo ConteFabio GabasMichele Ceotto Conference Object -
Fighting the curse of dimensionality with semiclassical approaches in reaction rate theory 2022 C. AietaG. MandelliF. GabasM. Ceotto Conference Object -
Halogen-bonding interactions with pi systems: CCSD(T), MP2 and DFT calculations 2012 S. PieracciniS. RendineF. GabasM. Sironi + Article (author) -
IMPLEMENTATION OF SEMICLASSICAL THEORIES FOR SPECTROSCOPY 2019 GABAS, FABIO Doctoral Thesis -
Implementations of Semiclassical Approximations for Spectroscopic and Vibrational Eigenfunction Calculations 2022 Riccardo ConteChiara AietaFabio GabasGianluca BertainaMarco CazzanigaAlessandro RognoniMichele GandolfiGiacomo BottiDavide MoscatoMichele Ceotto + Conference Object -
Investigating molecular quantum vibrational frequencies with semiclassical dynamics: theory and application to systems of astrochemical interest 2018 Riccardo ConteFabio GabasGiovanni Di LibertoMichele Ceotto Conference Object -
On-the-Fly ab Initio Semiclassical Calculation of Glycine Vibrational Spectrum 2017 F. GabasR. ConteM. Ceotto Article (author) -
Parallel Implementation of Semiclassical Transition State Theory 2019 Aieta C.Gabas F.Ceotto M. Article (author) -
Parallel Implementation of Semiclassical Transition State Theory and its application to high-dimensional tunneling reactions 2019 C. AietaF. GabasM. Ceotto Conference Object -
Protonated glycine supramolecular systems: The need for quantum dynamics 2018 Gabas, FabioDi Liberto, GiovanniConte, RiccardoCeotto, Michele Article (author) -