GABAS, FABIO

GABAS, FABIO  

Dipartimento di Chimica  

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Risultati 1 - 20 di 42 (tempo di esecuzione: 0.004 secondi).
Titolo Data di pubblicazione Autori Tipo File Abstract
A semiclassical investigation of glycine vibrational frequencies 30-set-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 26-set-2018 F. GabasR. ConteM. Ceotto Conference Object -
An effective semiclassical approach to IR spectroscopy 14-mag-2019 Micciarelli M.Gabas F.Conte R.Ceotto M. Article (author) -
An efficient computational approach for the calculation of the vibrational density of states 8-giu-2016 F. GabasC. D. AietaM. Ceotto Conference Object -
An Efficient Computational Approach for the Calculation of the Vibrational Density of States 3-feb-2016 AIETA, CHIARA DONATELLAGABAS, FABIOCEOTTO, MICHELE Article (author) -
Anharmonic calculations of vibrational spectra for molecular adsorbates : A divide-and-conquer semiclassical molecular dynamics approach 24-set-2021 Marco CazzanigaMarco MicciarelliFabio GabasMichele Ceotto + Conference Object -
Anharmonic calculations of vibrational spectra for molecular adsorbates : A divide-and-conquer semiclassical molecular dynamics approach 23-feb-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 14-mar-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 1-ago-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 23-giu-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 19-giu-2018 Giovanni Di LibertoRiccardo ConteFabio GabasMichele Ceotto Conference Object -
Fighting the curse of dimensionality with semiclassical approaches in reaction rate theory 5-set-2022 C. AietaG. MandelliF. GabasM. Ceotto Conference Object -
Halogen-bonding interactions with pi systems: CCSD(T), MP2 and DFT calculations 1-gen-2012 S. PieracciniS. RendineF. GabasM. Sironi + Article (author) -
IMPLEMENTATION OF SEMICLASSICAL THEORIES FOR SPECTROSCOPY 22-gen-2019 GABAS, FABIO Doctoral Thesis -
Investigating molecular quantum vibrational frequencies with semiclassical dynamics: theory and application to systems of astrochemical interest 16-feb-2018 Riccardo ConteFabio GabasGiovanni Di LibertoMichele Ceotto Conference Object -
On-the-Fly ab Initio Semiclassical Calculation of Glycine Vibrational Spectrum 13-giu-2017 F. GabasR. ConteM. Ceotto Article (author) -
Parallel Implementation of Semiclassical Transition State Theory 9-apr-2019 Aieta C.Gabas F.Ceotto M. Article (author) -
Parallel Implementation of Semiclassical Transition State Theory and its application to high-dimensional tunneling reactions 20-giu-2019 C. AietaF. GabasM. Ceotto Conference Object -
Protonated glycine supramolecular systems: The need for quantum dynamics 7-nov-2018 Gabas, FabioDi Liberto, GiovanniConte, RiccardoCeotto, Michele Article (author) -
Quantum and Semiclassical Methods for Molecular Rate Constants and Vibrational Spectra Calculations 3-lug-2017 M. CeottoC. AietaF. GabasG. Di LibertoR. Conte Conference Object -