CEOTTO, MICHELE

CEOTTO, MICHELE  

Dipartimento di Chimica  

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Risultati 1 - 20 di 160 (tempo di esecuzione: 0.0 secondi).
Titolo Data di pubblicazione Autori Tipo File Abstract
"Divide and conquer" semiclassical molecular dynamics : A practical method for spectroscopic calculations of high dimensional molecular systems 7-gen-2018 G. Di LibertoR. ConteM. Ceotto Article (author) -
A Close Look at the Structure of the TiO2 ‑APTES Interface in Hybrid Nanomaterials and Its Degradation Pathway : An Experimental and Theoretical Study 12-gen-2017 D. MeroniL. Lo PrestiG. Di LibertoM. CeottoG. SoliveriS. Ardizzone + Article (author) -
A Concerted Electrochemical and Theoretical Investigation of the Ag/TiO2 nano-heterojunction 1-giu-2019 L. FalciolaV. PifferiG. Di LibertoL. Lo PrestiM. Ceotto Conference Object -
A Concerted Investigation For Metal/Semiconductor Nanointerface : Interlayer Charge Transfer At Ag/TiO2 1-giu-2018 V. PifferiG. Di LibertoL. Lo PrestiM. CeottoL. Falciola Conference Object -
A concerted investigation of the interlayer charge transfer in Silver/Anatase nanocomposites 1-gen-2018 Valentina PifferiGiovanni Di LibertoLeonardo Lo PrestiMichele CeottoLuigi Falciola Conference Object -
A General Purpose Implementations of Semiclassical Molecular Dynamics for CPU and GPU hardware 24-feb-2014 M. Ceotto Conference Object -
A Novel Route For Preparation Of Transparent, Mechanically Robust And Photoactive Titania Films 26-giu-2013 D. MeroniV. PifferiL. FalciolaG. SoliveriM. CeottoL. Lo PrestiG. CappellettiS. Ardizzone Conference Object -
A quantum approximate method for the calculation of thermal reaction rate constants 14-giu-2016 C.D. AietaM. Ceotto Conference Object -
A quantum approximate method for the calculation of thermal reaction rate constants 8-giu-2016 C.D. AietaM. Ceotto Conference Object -
A quantum mechanical insight into S(N)2 reactions: Semiclassical initial value representation calculations of vibrational features of the Cl-center dot center dot center dot CH3Cl pre-reaction complex with the VENUS suite of codes 28-ott-2018 Di Liberto, GiovanniConte, RiccardoCeotto, Michele + Article (author) -
A quantum method for thermal rate constant calculations from stationary phase approximation of the thermal flux-flux correlation function integral 1-gen-2017 C. AietaM. Ceotto Article (author) -
A reduced-dimensionality quantum model which incorporates the full-dimensional energy of the system: Application to the vibrational predissociation of Cl-2-Ne-2 1-ago-2001 M. Ceotto + Article (author) -
A Semiclassical Divide and Conquer method for Spectroscopic calculations of high dimensional molecular systems 5-lug-2017 Giovanni Di LibertoRiccardo ConteMichele Ceotto Conference Object -
A semiclassical investigation of glycine vibrational frequencies 30-set-2016 R. ConteF. GabasM. Ceotto Conference Object -
Ab initio direct semiclassical molecular dynamics 18-giu-2013 M. 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 -
About the nitrogen location in nanocrystalline N-Doped TiO2: combined DFT and EXAFS approach 19-gen-2012 M. CeottoL. Lo PrestiG. CappellettiD. MeroniF. SpadavecchiaC.L.M. BianchiS. Ardizzone + Article (author) -
Accelerated direct semiclassical molecular dynamics using a compact finite difference Hessian scheme 6-feb-2013 M. Ceotto + Article (author) -
Accelerated superposition state molecular dynamics for condensed phase systems 1-apr-2008 M. Ceotto + Article (author) -
Accurate and efficient pre-exponential factor approximations for the semiclassical initial value representation propagator 8-giu-2016 G. Di LibertoM. Ceotto Conference Object -