TOFFOLI, DANIELE

TOFFOLI, DANIELE  

Dipartimento di Scienze Chimiche e Farmaceutiche  

Docenti di ruolo di IIa fascia  

Mostra records
Risultati 1 - 20 di 112 (tempo di esecuzione: 0.022 secondi).
Titolo Data di pubblicazione Autori File
3d Photoionization along the Xenon isoelectronic series 1-gen-2003 TOFFOLI, DANIELESTENER, MAURODECLEVA, PIETRO
A Classical Molecular Dynamics Study of the Effect of the Atomic Force Microscope Tip Shape, Size and Deformation on the Tribological Properties of the Graphene/Au(111) Interface 1-gen-2024 Toffoli, Daniele +
A hierarchy of potential energy surfaces constructed from energies and energy derivatives calculated on grids 1-gen-2009 TOFFOLI, DANIELE +
A Multicentric Approach to the Calculation of Non dipolar Effects in Molecular Photoemission 1-gen-2008 TOFFOLI, DANIELEDECLEVA, PIETRO
A Multichannel Least-Squares B-Spline Approach to Molecular Photoionization: Theory, Implementation, and Applications within the Configuration-Interaction Singles Approximation 1-gen-2016 TOFFOLI, DANIELEDECLEVA, PIETRO
A Resolution of Identity Technique to Speed up TDDFT with Hybrid Functionals: Implementation and Application to the Magic Cluster Series Au8n+4(SC6H5)4n+8 (n = 3–6) 1-gen-2023 D’Antoni, PierpaoloMedves, MarcoToffoli, DanieleFortunelli, AlessandroStener, Mauro +
A virtual vibrational self-consistent-field method for efficient calculation of molecular vibrational partition functions and thermal effects on molecular properties 1-gen-2008 TOFFOLI, DANIELE +
Ab initio potential energy and dipole moment surfaces of the F -(H2O) complex 1-gen-2014 TOFFOLI, DANIELE +
Accurate multimode vibrational calculations using a B-spline basis: Theory, tests and application to dioxirane and diazirinone 1-gen-2011 TOFFOLI, DANIELE +
Accurate Vertical Excitation Energies of BODIPY/Aza-BODIPY Derivatives from Excited-State Mean-Field Calculations 1-gen-2022 Toffoli, DanieleFronzoni, GiovannaStener, Mauro +
Active role of the support in NOx storage and reductioncatalytic systems 1-gen-2015 TOFFOLI, DANIELE +
An adaptive density-guided approach for the generation of potential energy surfaces of polyatomic molecules 1-gen-2009 TOFFOLI, DANIELE +
An efficient hybrid scheme for time dependent density functional theory 1-gen-2020 Medves M.Toffoli D.Fronzoni G.Fortunelli A.Stener M. +
Angular dependent time delay near correlation induced Cooper minima 1-gen-2020 Toffoli D.Decleva P. +
Appearance of plasmons in fullerenes 1-gen-2012 Korica, SanjaFRONZONI, GIOVANNATOFFOLI, DANIELESTENER, MAURO +
Application of the Time-Dependent Density Functional Theory to the Photoionization of Xe 1-gen-2002 TOFFOLI, DANIELESTENER, MAURODECLEVA, PIETRO
Automatic generation of potential energy and property surfaces of polyatomic molecules in normal coordinates 1-gen-2007 TOFFOLI, DANIELE +
Bis(triisopropylsilylethynyl)pentacene/Au(111) interface: Coupling, molecular orientation, and thermal stability 1-gen-2014 TOFFOLI, DANIELELIZZIT, SILVANO +
Carbon and Nitrogen K-Edge NEXAFS Spectra of Indole, 2,3-Dihydro-7-azaindole, and 3-Formylindole 1-gen-2021 Ponzi, AuroraBernes, ElisaToffoli, DanieleFronzoni, GiovannaDi Fraia, Michele +
Chirality in bare and ligand-protected metal nanoclusters 1-gen-2018 Toffoli, DanieleStener, Mauro +