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Mostrati risultati da 1 a 19 di 19
Titolo Data di pubblicazione Autori File
A New Valence Photoabsorption TDDFT Algorithm for Large Systems 1-gen-2013 BASEGGIO, OSCARSTENER, MAURO
Importance of vibronic coupling in core level photoemission spectra of polycyclic aromatic molecules 1-gen-2013 FRONZONI, GIOVANNASTENER, MAUROBASEGGIO, OSCAR +
Importance of vibronic coupling in core level photoemission spectra of polycyclic aromatic hydrocarbon molecules 1-gen-2013 FRONZONI, GIOVANNASTENER, MAUROBASEGGIO, OSCAR +
The near-edge X-ray-absorption fine-structure of O2 chemisorbed on Ag(110) surface studied by density functional theory 1-gen-2013 BASEGGIO, OSCARROMEO, MICHELEFRONZONI, GIOVANNASTENER, MAURO
THE NEAR-EDGE X-RAY-ABSORPTION FINE-STRUCTURE OF O2 CHEMISORBED ON Ag(110) SURFACE STUDIED BY DENSITY FUNCTIONAL THEORY 1-gen-2013 BASEGGIO, OSCARSTENER, MAUROROMEO, MICHELEFRONZONI, GIOVANNA
Vibrationally resolved high-resolution NEXAFS and XPS spectra of phenanthrene and coronene 1-gen-2014 FRONZONI, GIOVANNABASEGGIO, OSCARSTENER, MAURO +
A new time dependent density functional algorithm for large systems and plasmons in metal clusters 1-gen-2015 BASEGGIO, OSCARFRONZONI, GIOVANNASTENER, MAURO
A new time-dependent density-functional method for molecular plasmonics: Formalism, implementation, and the Au144(SH)60 case study 1-gen-2016 BASEGGIO, OSCARFRONZONI, GIOVANNASTENER, MAURO +
Crystal Structure and Theoretical Analysis of Green Gold Au30(S-tBu)18 Nanomolecules and Their Relation to Au30S(S-tBu)18 1-gen-2016 BASEGGIO, OSCARSTENER, MAURO +
Extension of the Time-Dependent Density Functional Complex Polarizability Algorithm to Circular Dichroism: Implementation and Applications to Ag8 and Au38(SC2H4C6H5)24 1-gen-2016 BASEGGIO, OSCARTOFFOLI, DANIELEFRONZONI, GIOVANNASTENER, MAURO +
Photoabsorption of Icosahedral Noble Metal Clusters: An Efficient TDDFT Approach to Large-Scale Systems 1-gen-2016 BASEGGIO, OSCARFRONZONI, GIOVANNASTENER, MAURO +
Theoretical description of photoabsorption spectra: TDDFT development and applications 22-apr-2016 BASEGGIO, OSCAR
Ligand-Enhanced Optical Response of Gold Nanomolecules and Its Fragment Projection Analysis: The Case of Au30(SR)18 1-gen-2017 BASEGGIO, OSCARSTENER, MAURO +
Au38(SPh)24: Au38 Protected with Aromatic Thiolate Ligands 1-gen-2017 BASEGGIO, OSCARSTENER, MAURO +
S2p core level spectroscopy of short chain oligothiophenes 1-gen-2017 O. BaseggioD. ToffoliM. StenerG. FronzoniC. Grazioli +
Study of the electronic structure of short chain oligothiophenes 1-gen-2017 GRAZIOLI, CESAREBASEGGIO, OSCARSTENER, MAUROFRONZONI, GIOVANNA +
Time-dependent density-functional study of the photoabsorption spectrum of Au25(SC2H4C6H5)18 anion: Validation of the computational protocol 1-gen-2018 Baseggio, OscarFronzoni, GiovannaToffoli, DanieleStener, Mauro +
Individual Component Map of Rotatory Strength and Rotatory Strength Density Plots As Analysis Tools of Circular Dichroism Spectra of Complex Systems 1-gen-2018 Baseggio, OscarFronzoni, GiovannaToffoli, DanieleStener, Mauro +
Pd doping, conformational, and charge effects on the dichroic response of a monolayer protected Au38(SR)24 nanocluster 1-gen-2019 Toffoli, DanieleBaseggio, OscarFronzoni, GiovannaStener, Mauro +
Mostrati risultati da 1 a 19 di 19
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