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Francesc Illas

Showing results (31-40 of 234) with videos related to

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The Journal of Chemical Physics|October 27, 2016
Consequences of electron correlation for XPS binding energies: Representative case for C(1s) and O(1s) XPS of COPaul S Bagus, Carme Sousa, Francesc Illas
Journal of Chemical Theory and Computation|June 23, 2017
Performance of the G<sub>0</sub>W<sub>0</sub> Method in Predicting the Electronic Gap of TiO<sub>2</sub> NanoparticlesÁngel Morales-García, Rosendo Valero, Francesc Illas
Physical Chemistry Chemical Physics : PCCP|March 14, 2020
Designing water splitting catalysts using rules of thumb: advantages, dangers and alternativesOriol Piqué, Francesc Illas, Federico Calle-Vallejo
ACS Omega|August 29, 2019
Reduction of Hydrogenated ZrO<sub>2</sub> Nanoparticles by Water DesorptionAntonio Ruiz Puigdollers, Francesc Illas, Gianfranco Pacchioni
Physical Review Letters|February 1, 2008
Ultralow-density nanocage-based metal-oxide polymorphsJavier Carrasco, Francesc Illas, Stefan T Bromley
The Journal of Physical Chemistry. A|June 7, 2008
Density functional calculations of Pd nanoparticles using a plane-wave methodFrancesc Viñes, Francesc Illas, Konstantin M Neyman
Physical Chemistry Chemical Physics : PCCP|October 5, 2020
Limitations of the equivalent core model for understanding core-level spectroscopiesPaul S Bagus, Carmen Sousa, Francesc Illas
Physical Chemistry Chemical Physics : PCCP|April 25, 2006
A unified view of the theoretical description of magnetic coupling in molecular chemistry and solid state physicsIbério de P R Moreira, Francesc Illas
Journal of Physics. Condensed Matter : an Institute of Physics Journal|January 21, 2022
XPS binding energy shifts as a function of bond distances: a case study of COPaul S Bagus, Carmen Sousa, Francesc Illas
The Journal of Physical Chemistry. A|January 25, 2024
Theoretical Prediction of Core-Level Binding Energies: Analysis of Unexpected ErrorsCarmen Sousa, Paul S Bagus, Francesc Illas
Pageof 24

Showing results (31-40 of 234) with videos related to

Sort By:
Pageof 24
The Journal of Chemical Physics|October 27, 2016
Consequences of electron correlation for XPS binding energies: Representative case for C(1s) and O(1s) XPS of COPaul S Bagus, Carme Sousa, Francesc Illas
Journal of Chemical Theory and Computation|June 23, 2017
Performance of the G<sub>0</sub>W<sub>0</sub> Method in Predicting the Electronic Gap of TiO<sub>2</sub> NanoparticlesÁngel Morales-García, Rosendo Valero, Francesc Illas
Physical Chemistry Chemical Physics : PCCP|March 14, 2020
Designing water splitting catalysts using rules of thumb: advantages, dangers and alternativesOriol Piqué, Francesc Illas, Federico Calle-Vallejo
ACS Omega|August 29, 2019
Reduction of Hydrogenated ZrO<sub>2</sub> Nanoparticles by Water DesorptionAntonio Ruiz Puigdollers, Francesc Illas, Gianfranco Pacchioni
Physical Review Letters|February 1, 2008
Ultralow-density nanocage-based metal-oxide polymorphsJavier Carrasco, Francesc Illas, Stefan T Bromley
The Journal of Physical Chemistry. A|June 7, 2008
Density functional calculations of Pd nanoparticles using a plane-wave methodFrancesc Viñes, Francesc Illas, Konstantin M Neyman
Physical Chemistry Chemical Physics : PCCP|October 5, 2020
Limitations of the equivalent core model for understanding core-level spectroscopiesPaul S Bagus, Carmen Sousa, Francesc Illas
Physical Chemistry Chemical Physics : PCCP|April 25, 2006
A unified view of the theoretical description of magnetic coupling in molecular chemistry and solid state physicsIbério de P R Moreira, Francesc Illas
Journal of Physics. Condensed Matter : an Institute of Physics Journal|January 21, 2022
XPS binding energy shifts as a function of bond distances: a case study of COPaul S Bagus, Carmen Sousa, Francesc Illas
The Journal of Physical Chemistry. A|January 25, 2024
Theoretical Prediction of Core-Level Binding Energies: Analysis of Unexpected ErrorsCarmen Sousa, Paul S Bagus, Francesc Illas
Pageof 24