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Physical Chemistry Chemical Physics : PCCP
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December 6, 2012
Ab initio study of the electrochemical H2SO4/Pt(111) interface
Aleix Comas-Vives, Jochen Bandlow, Timo Jacob
Frontiers in Chemistry
|
April 6, 2023
Theoretical study of the catalytic performance of Fe and Cu single-atom catalysts supported on Mo<sub>2</sub>C toward the reverse water-gas shift reaction
Wenjuan Zhang, Anna Vidal-López, Aleix Comas-Vives
ACS Central Science
|
May 11, 2016
Cooperativity between Al Sites Promotes Hydrogen Transfer and Carbon-Carbon Bond Formation upon Dimethyl Ether Activation on Alumina
Aleix Comas-Vives, Maxence Valla, Christophe Copéret, et al.
Angewandte Chemie (International Ed. in English)
|
November 28, 2018
Taming Radical Intermediates for the Construction of Enantioenriched Trifluoromethylated Quaternary Carbon Centers
Roxan Calvo, Aleix Comas-Vives, Antonio Togni, et al.
The Journal of Physical Chemistry Letters
|
August 5, 2016
Surface Sites in Cu-Nanoparticles: Chemical Reactivity or Microscopy?
Kim Larmier, Shohei Tada, Aleix Comas-Vives, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
June 24, 2010
The Wacker process: inner- or outer-sphere nucleophilic addition? New insights from ab initio molecular dynamics
Aleix Comas-Vives, András Stirling, Agustí Lledós, et al.
Npj Materials Sustainability
|
April 6, 2026
Bridging heterogeneous and homogeneous catalysis in carbon dioxide valorization
Sergio Posada-Pérez, Anna Vidal-López, Aleix Comas-Vives, et al.
ACS Materials Au
|
March 16, 2026
How Realistic Are Idealized Copper Surfaces? A Machine Learning Study of Rough Copper-Water Interfaces
Linus C Erhard, Johannes Schörghuber, Aleix Comas-Vives, et al.
The Journal of Physical Chemistry Letters
|
June 1, 2018
Electronic Structure-Reactivity Relationship on Ruthenium Step-Edge Sites from Carbonyl <sup>13</sup>C Chemical Shift Analysis
Lucas Foppa, Keishi Yamamoto, Wei-Chih Liao, et al.
Angewandte Chemie (International Ed. in English)
|
February 13, 2020
Hydrogenolysis of Polysilanes Catalyzed by Low-Valent Nickel Complexes
Bruno Pribanic, Monica Trincado, Frederik Eiler, et al.
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Search research articles
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Showing results (11-20 of 48) with videos related to
Sort By:
Page
of 5
Physical Chemistry Chemical Physics : PCCP
|
December 6, 2012
Ab initio study of the electrochemical H2SO4/Pt(111) interface
Aleix Comas-Vives, Jochen Bandlow, Timo Jacob
Frontiers in Chemistry
|
April 6, 2023
Theoretical study of the catalytic performance of Fe and Cu single-atom catalysts supported on Mo<sub>2</sub>C toward the reverse water-gas shift reaction
Wenjuan Zhang, Anna Vidal-López, Aleix Comas-Vives
ACS Central Science
|
May 11, 2016
Cooperativity between Al Sites Promotes Hydrogen Transfer and Carbon-Carbon Bond Formation upon Dimethyl Ether Activation on Alumina
Aleix Comas-Vives, Maxence Valla, Christophe Copéret, et al.
Angewandte Chemie (International Ed. in English)
|
November 28, 2018
Taming Radical Intermediates for the Construction of Enantioenriched Trifluoromethylated Quaternary Carbon Centers
Roxan Calvo, Aleix Comas-Vives, Antonio Togni, et al.
The Journal of Physical Chemistry Letters
|
August 5, 2016
Surface Sites in Cu-Nanoparticles: Chemical Reactivity or Microscopy?
Kim Larmier, Shohei Tada, Aleix Comas-Vives, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
June 24, 2010
The Wacker process: inner- or outer-sphere nucleophilic addition? New insights from ab initio molecular dynamics
Aleix Comas-Vives, András Stirling, Agustí Lledós, et al.
Npj Materials Sustainability
|
April 6, 2026
Bridging heterogeneous and homogeneous catalysis in carbon dioxide valorization
Sergio Posada-Pérez, Anna Vidal-López, Aleix Comas-Vives, et al.
ACS Materials Au
|
March 16, 2026
How Realistic Are Idealized Copper Surfaces? A Machine Learning Study of Rough Copper-Water Interfaces
Linus C Erhard, Johannes Schörghuber, Aleix Comas-Vives, et al.
The Journal of Physical Chemistry Letters
|
June 1, 2018
Electronic Structure-Reactivity Relationship on Ruthenium Step-Edge Sites from Carbonyl <sup>13</sup>C Chemical Shift Analysis
Lucas Foppa, Keishi Yamamoto, Wei-Chih Liao, et al.
Angewandte Chemie (International Ed. in English)
|
February 13, 2020
Hydrogenolysis of Polysilanes Catalyzed by Low-Valent Nickel Complexes
Bruno Pribanic, Monica Trincado, Frederik Eiler, et al.
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of 5