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Mostrati risultati da 1 a 20 di 46
Titolo Data di pubblicazione Autori Tipo File Abstract
Halogen-bonding interactions with pi systems: CCSD(T), MP2 and DFT calculations 2012 S. PieracciniS. RendineF. GabasM. Sironi + Article (author) -
An Efficient Computational Approach for the Calculation of the Vibrational Density of States 2016 AIETA, CHIARA DONATELLAGABAS, FABIOCEOTTO, MICHELE Article (author) -
An efficient computational approach for the calculation of the vibrational density of states 2016 F. GabasC. D. AietaM. Ceotto Conference Object -
Simulating Vibrational Spectra of Variously-sized Molecules via Multiple Coherent Time Averaging Semiclassical Initial Value Representation 2016 R. ConteG. Di LibertoF. GabasM. Ceotto Conference Object -
A semiclassical investigation of glycine vibrational frequencies 2016 R. ConteF. GabasM. Ceotto Conference Object -
Semiclassical Dynamics: A Viable Route to Molecular Spectroscopy 2017 R. ConteF. GabasG. Di LibertoM. Ceotto Conference Object -
On-the-Fly ab Initio Semiclassical Calculation of Glycine Vibrational Spectrum 2017 F. GabasR. ConteM. Ceotto Article (author) -
Semiclassical “Divide-and-Conquer” Method for Spectroscopic Calculations of High Dimensional Molecular Systems 2017 M. CeottoR. ConteG. Di LibertoF. Gabas Conference Object -
Quantum and Semiclassical Methods for Molecular Rate Constants and Vibrational Spectra Calculations 2017 M. CeottoC. AietaF. GabasG. Di LibertoR. Conte Conference Object -
Semiclassical “Divide-and-Conquer” Method for Spectroscopic Calculations of High Dimensional Molecular Systems 2017 M. CeottoR. ConteF. GabasM. BuchholzC. Aieta + Conference Object -
Semiclassical “Divide-and-Conquer” Method for Spectroscopic Calculations of High Dimensional Molecular Systems 2017 M. CeottoG. Di LibertoF. GabasR. ConteM. Buchholz 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 -
Semiclassical vibrational spectroscopy : the importance of quantum anharmonicity in supra-molecular systems 2018 R. ConteG. Di LibertoF. GabasM. Ceotto 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 -
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 -
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 -
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 -
Semiclassical Methods for Spectroscopic Calculations of High Dimensional Molecular Systems 2018 Michele CeottoRiccardo ConteGiovanni Di LibertoFabio GabasMax BuchholzMarco MicciarelliGianluca BertainaJaime Suarez + Conference Object -
Protonated glycine supramolecular systems: The need for quantum dynamics 2018 Gabas, FabioDi Liberto, GiovanniConte, RiccardoCeotto, Michele Article (author) -
Semiclassical Molecular Dynamics for Spectroscopic Calculations of Complex Systems 2019 M. CeottoR. ConteG. Di LibertoF. GabasM. BuchholzM. MicciarelliG. BertainaJ. Suarez Corujo + Conference Object -
Mostrati risultati da 1 a 20 di 46
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