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Journal of Chemical Theory and Computation
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September 15, 2016
A Multichannel Least-Squares B-Spline Approach to Molecular Photoionization: Theory, Implementation, and Applications within the Configuration-Interaction Singles Approximation
Daniele Toffoli, Piero Decleva
The Journal of Chemical Physics
|
October 9, 2012
Density functional theory for molecular multiphoton ionization in the perturbative regime
Daniele Toffoli, Piero Decleva
The Journal of Chemical Physics
|
June 24, 2008
A multicentric approach to the calculation of nondipolar effects in molecular photoemission
Daniele Toffoli, Piero Decleva
The Journal of Chemical Physics
|
July 23, 2004
Near threshold photoionization of the ground and first excited states of C(2)
Daniele Toffoli, Robert R Lucchese
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 Oxidation
Arda Erbasan, Hande Ustunel, Daniele Toffoli
The Journal of Physical Chemistry. A
|
September 26, 2025
Damped Linear Response TDDFT with Range-Separated Functionals and Density Fitting
Pierpaolo D'Antoni, Daniele Toffoli, Mauro Stener
Molecules (Basel, Switzerland)
|
March 26, 2022
Continuum Electronic States: The Tiresia Code
Piero Decleva, Mauro Stener, Daniele Toffoli
ACS Omega
|
August 29, 2019
Effect of Platinum, Gold, and Potassium Additives on the Surface Chemistry of CdI<sub>2</sub>-Antitype Mo<sub>2</sub>C
Merve Demirtas, Hande Ustunel, Daniele Toffoli
The Journal of Chemical Physics
|
April 10, 2009
A hierarchy of potential energy surfaces constructed from energies and energy derivatives calculated on grids
Eduard Matito, Daniele Toffoli, Ove Christiansen
Molecules (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 Investigation
Merve Demirtas, Hande Ustunel, Daniele Toffoli
Page
of 5
Search research articles
Search
Showing results (1-10 of 48) with videos related to
Sort By:
Page
of 5
Journal of Chemical Theory and Computation
|
September 15, 2016
A Multichannel Least-Squares B-Spline Approach to Molecular Photoionization: Theory, Implementation, and Applications within the Configuration-Interaction Singles Approximation
Daniele Toffoli, Piero Decleva
The Journal of Chemical Physics
|
October 9, 2012
Density functional theory for molecular multiphoton ionization in the perturbative regime
Daniele Toffoli, Piero Decleva
The Journal of Chemical Physics
|
June 24, 2008
A multicentric approach to the calculation of nondipolar effects in molecular photoemission
Daniele Toffoli, Piero Decleva
The Journal of Chemical Physics
|
July 23, 2004
Near threshold photoionization of the ground and first excited states of C(2)
Daniele Toffoli, Robert R Lucchese
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 Oxidation
Arda Erbasan, Hande Ustunel, Daniele Toffoli
The Journal of Physical Chemistry. A
|
September 26, 2025
Damped Linear Response TDDFT with Range-Separated Functionals and Density Fitting
Pierpaolo D'Antoni, Daniele Toffoli, Mauro Stener
Molecules (Basel, Switzerland)
|
March 26, 2022
Continuum Electronic States: The Tiresia Code
Piero Decleva, Mauro Stener, Daniele Toffoli
ACS Omega
|
August 29, 2019
Effect of Platinum, Gold, and Potassium Additives on the Surface Chemistry of CdI<sub>2</sub>-Antitype Mo<sub>2</sub>C
Merve Demirtas, Hande Ustunel, Daniele Toffoli
The Journal of Chemical Physics
|
April 10, 2009
A hierarchy of potential energy surfaces constructed from energies and energy derivatives calculated on grids
Eduard Matito, Daniele Toffoli, Ove Christiansen
Molecules (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 Investigation
Merve Demirtas, Hande Ustunel, Daniele Toffoli
Page
of 5