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Rosendo Valero

Showing results (1-10 of 35) with videos related to

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Physical Chemistry Chemical Physics : PCCP|November 14, 2012
Quantitative integral cross sections for the H + CO2 → OH + CO reaction from a density functional theory-based potential energy surfaceRosendo Valero, Stefan Andersson
The Journal of Chemical Physics|November 30, 2006
Nonadiabatic effects in C-Br bond scission in the photodissociation of bromoacetyl chlorideRosendo Valero, Donald G Truhlar
The Journal of Physical Chemistry. A|August 19, 2007
A diabatic representation including both valence nonadiabatic interactions and spin-orbit effects for reaction dynamicsRosendo Valero, Donald G Truhlar
The Journal of Chemical Physics|December 20, 2012
Photochemistry in a dense manifold of electronic states: photodissociation of CH2ClBrRosendo Valero, Donald G Truhlar
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces|February 21, 2024
Estimating Nonradiative Excited-State Lifetimes in Photoactive Semiconducting NanostructuresRosendo 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 PhotocatalysisRosendo Valero, Ángel Morales-García, Francesc Illas
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 SchemeÁngel 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 photocatalysisRosendo Valero, Ángel Morales-García, Francesc Illas
Journal of Chemical Theory and Computation|November 25, 2015
Magnetic Coupling in Transition-Metal Binuclear Complexes by Spin-Flip Time-Dependent Density Functional TheoryRosendo 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 theoryÁngel Morales-García, Rosendo Valero, Francesc Illas
Pageof 4

Showing results (1-10 of 35) with videos related to

Sort By:
Pageof 4
Physical Chemistry Chemical Physics : PCCP|November 14, 2012
Quantitative integral cross sections for the H + CO2 → OH + CO reaction from a density functional theory-based potential energy surfaceRosendo Valero, Stefan Andersson
The Journal of Chemical Physics|November 30, 2006
Nonadiabatic effects in C-Br bond scission in the photodissociation of bromoacetyl chlorideRosendo Valero, Donald G Truhlar
The Journal of Physical Chemistry. A|August 19, 2007
A diabatic representation including both valence nonadiabatic interactions and spin-orbit effects for reaction dynamicsRosendo Valero, Donald G Truhlar
The Journal of Chemical Physics|December 20, 2012
Photochemistry in a dense manifold of electronic states: photodissociation of CH2ClBrRosendo Valero, Donald G Truhlar
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces|February 21, 2024
Estimating Nonradiative Excited-State Lifetimes in Photoactive Semiconducting NanostructuresRosendo 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 PhotocatalysisRosendo Valero, Ángel Morales-García, Francesc Illas
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 SchemeÁngel 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 photocatalysisRosendo Valero, Ángel Morales-García, Francesc Illas
Journal of Chemical Theory and Computation|November 25, 2015
Magnetic Coupling in Transition-Metal Binuclear Complexes by Spin-Flip Time-Dependent Density Functional TheoryRosendo 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 theoryÁngel Morales-García, Rosendo Valero, Francesc Illas
Pageof 4