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The Journal of Chemical Physics|September 14, 2013
Photoionization cross section by Stieltjes imaging applied to coupled cluster Lanczos pseudo-spectraJanusz Cukras, Sonia Coriani, Piero Decleva, et al.Molecules (Basel, Switzerland)|February 25, 2022
Photoionization Observables from Multi-Reference Dyson Orbitals Coupled to B-Spline DFT and TD-DFT ContinuumBruno Nunes Cabral Tenorio, Aurora Ponzi, Sonia Coriani, et al.The Journal of Chemical Physics|June 2, 2014
Dynamical photoionization observables of the CS molecule: the role of electron correlationAurora Ponzi, Celestino Angeli, Renzo Cimiraglia, et al.Molecules (Basel, Switzerland)|November 9, 2024
Electronic Structure of Rh and Ir Single Atom Catalysts Supported on Defective and Doped ZnO: Assessment of Their Activity Towards CO OxidationArda Erbasan, Hande Ustunel, Daniele ToffoliThe Journal of Physical Chemistry. A|September 26, 2025
Damped Linear Response TDDFT with Range-Separated Functionals and Density FittingPierpaolo D'Antoni, Daniele Toffoli, Mauro StenerACS Omega|August 29, 2019
Effect of Platinum, Gold, and Potassium Additives on the Surface Chemistry of CdI2-Antitype Mo2CMerve Demirtas, Hande Ustunel, Daniele ToffoliThe Journal of Chemical Physics|April 2, 2018
Theoretical study of ultrafast x-ray photoelectron diffraction from molecules undergoing photodissociationShota Tsuru, Takashi Fujikawa, Mauro Stener, et al.The Journal of Chemical Physics|April 10, 2009
A hierarchy of potential energy surfaces constructed from energies and energy derivatives calculated on gridsEduard Matito, Daniele Toffoli, Ove ChristiansenMolecules (Basel, Switzerland)|December 9, 2023
Effect of Surface Pt Doping on the Reactivity of Au(111) Surfaces towards Methanol Dehydrogenation: A First-Principles Density Functional Theory InvestigationMerve Demirtas, Hande Ustunel, Daniele ToffoliOptics Express|February 25, 2022
Strong chiral response in non-collinear high harmonic generation driven by purely electric-dipole interactionsDavid Ayuso, Andres F Ordonez, Piero Decleva, et al.Pageof 11