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The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
February 21, 2024
Estimating Nonradiative Excited-State Lifetimes in Photoactive Semiconducting Nanostructures
Rosendo Valero, Ángel Morales-García, Francesc Illas
Journal of Chemical Theory and Computation
|
July 17, 2018
Theoretical Modeling of Electronic Excitations of Gas-Phase and Solvated TiO<sub>2</sub> Nanoclusters and Nanoparticles of Interest in Photocatalysis
Rosendo Valero, Ángel Morales-García, Francesc Illas
Physical Review Letters
|
September 28, 2010
Prospective role of multicenter bonding for efficient and selective hydrogen transport
Daniele Stradi, Francesc Illas, Stefan T Bromley
Journal of Chemical Theory and Computation
|
August 2, 2019
Electronic Properties of Realistic Anatase TiO<sub>2</sub> Nanoparticles from <i>G</i><sub>0</sub><i>W</i><sub>0</sub> Calculations on a Gaussian and Plane Waves Scheme
Ángel Morales-García, Rosendo Valero, Francesc Illas
Physical Chemistry Chemical Physics : PCCP
|
January 21, 2020
Investigating the character of excited states in TiO<sub>2</sub> nanoparticles from topological descriptors: implications for photocatalysis
Rosendo Valero, Ángel Morales-García, Francesc Illas
Chemical Science
|
April 3, 2023
A general but still unknown characteristic of active oxygen evolution electrocatalysts
Eleonora Romeo, Francesc Illas, Federico Calle-Vallejo
Angewandte Chemie (International Ed. in English)
|
August 9, 2007
On the mechanism of formation of metal nanowires by self-assembly
Francesc Viñes, Francesc Illas, Konstantin M Neyman
Journal of Chemical Theory and Computation
|
November 25, 2015
Magnetic Coupling in Transition-Metal Binuclear Complexes by Spin-Flip Time-Dependent Density Functional Theory
Rosendo Valero, Francesc Illas, Donald G Truhlar
Physical Chemistry Chemical Physics : PCCP
|
July 5, 2018
Reliable and computationally affordable prediction of the energy gap of (TiO<sub>2</sub>)<sub>n</sub> (10 ≤ n ≤ 563) nanoparticles from density functional theory
Ángel Morales-García, Rosendo Valero, Francesc Illas
Physical Review Letters
|
November 5, 2004
When Langmuir is too simple: H2 dissociation on Pd(111) at high coverage
Nuria Lopez, Zbigniew Łodziana, Francesc Illas, et al.
Page
of 24
Search research articles
Search
Showing results (41-50 of 234) with videos related to
Sort By:
Page
of 24
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
February 21, 2024
Estimating Nonradiative Excited-State Lifetimes in Photoactive Semiconducting Nanostructures
Rosendo Valero, Ángel Morales-García, Francesc Illas
Journal of Chemical Theory and Computation
|
July 17, 2018
Theoretical Modeling of Electronic Excitations of Gas-Phase and Solvated TiO<sub>2</sub> Nanoclusters and Nanoparticles of Interest in Photocatalysis
Rosendo Valero, Ángel Morales-García, Francesc Illas
Physical Review Letters
|
September 28, 2010
Prospective role of multicenter bonding for efficient and selective hydrogen transport
Daniele Stradi, Francesc Illas, Stefan T Bromley
Journal of Chemical Theory and Computation
|
August 2, 2019
Electronic Properties of Realistic Anatase TiO<sub>2</sub> Nanoparticles from <i>G</i><sub>0</sub><i>W</i><sub>0</sub> Calculations on a Gaussian and Plane Waves Scheme
Ángel Morales-García, Rosendo Valero, Francesc Illas
Physical Chemistry Chemical Physics : PCCP
|
January 21, 2020
Investigating the character of excited states in TiO<sub>2</sub> nanoparticles from topological descriptors: implications for photocatalysis
Rosendo Valero, Ángel Morales-García, Francesc Illas
Chemical Science
|
April 3, 2023
A general but still unknown characteristic of active oxygen evolution electrocatalysts
Eleonora Romeo, Francesc Illas, Federico Calle-Vallejo
Angewandte Chemie (International Ed. in English)
|
August 9, 2007
On the mechanism of formation of metal nanowires by self-assembly
Francesc Viñes, Francesc Illas, Konstantin M Neyman
Journal of Chemical Theory and Computation
|
November 25, 2015
Magnetic Coupling in Transition-Metal Binuclear Complexes by Spin-Flip Time-Dependent Density Functional Theory
Rosendo Valero, Francesc Illas, Donald G Truhlar
Physical Chemistry Chemical Physics : PCCP
|
July 5, 2018
Reliable and computationally affordable prediction of the energy gap of (TiO<sub>2</sub>)<sub>n</sub> (10 ≤ n ≤ 563) nanoparticles from density functional theory
Ángel Morales-García, Rosendo Valero, Francesc Illas
Physical Review Letters
|
November 5, 2004
When Langmuir is too simple: H2 dissociation on Pd(111) at high coverage
Nuria Lopez, Zbigniew Łodziana, Francesc Illas, et al.
Page
of 24