Investigations of heterogeneous and homogeneous transition metal catalysis using density functional theory
This chapter reviews recent applications of density functional theory (DFT) based methods in the stu...
The application of density functional theory to calculate adsorption properties, reac-tion pathways,...
Man-made homogeneous catalysis with the aid of transition metal compounds looks back on a long histo...
Investigations of heterogeneous and homogeneous transition metal catalysis using density functional ...
Tutorial: Case studies in the use of density functional theory for transition metal systems, with an...
Density functional theory study of the role of the metal-cation ensemble in catalytic reactio
Transition metal catalysis, being critical to nearly all aspects of the modern industrial world, is ...
Centro de Informacion y Documentacion Cientifica (CINDOC). C/Joaquin Costa, 22. 28002 Madrid. SPAIN ...
One of the most important advances in modern theoretical surface science and catalysis research has ...
Catalysis describes the acceleration of a chemical reaction by means of a substance that is itself n...
Density functional theory enables quantitative computational analysis of reaction intermediates. The...
Supplementary data to accompany "Identifying Promising Metal−Organic Frameworks for Heterogeneous Ca...
CO2 reduction has been quite a hot research topic, and its catalytic reduction mechanisms via H2 usi...
This thesis is built around two pillars. One is heterogeneous catalysis in the broader context of gr...
Transition-metal centers are the active sites for a broad variety of biological and inorganic chemic...
This chapter reviews recent applications of density functional theory (DFT) based methods in the stu...
The application of density functional theory to calculate adsorption properties, reac-tion pathways,...
Man-made homogeneous catalysis with the aid of transition metal compounds looks back on a long histo...
Investigations of heterogeneous and homogeneous transition metal catalysis using density functional ...
Tutorial: Case studies in the use of density functional theory for transition metal systems, with an...
Density functional theory study of the role of the metal-cation ensemble in catalytic reactio
Transition metal catalysis, being critical to nearly all aspects of the modern industrial world, is ...
Centro de Informacion y Documentacion Cientifica (CINDOC). C/Joaquin Costa, 22. 28002 Madrid. SPAIN ...
One of the most important advances in modern theoretical surface science and catalysis research has ...
Catalysis describes the acceleration of a chemical reaction by means of a substance that is itself n...
Density functional theory enables quantitative computational analysis of reaction intermediates. The...
Supplementary data to accompany "Identifying Promising Metal−Organic Frameworks for Heterogeneous Ca...
CO2 reduction has been quite a hot research topic, and its catalytic reduction mechanisms via H2 usi...
This thesis is built around two pillars. One is heterogeneous catalysis in the broader context of gr...
Transition-metal centers are the active sites for a broad variety of biological and inorganic chemic...
This chapter reviews recent applications of density functional theory (DFT) based methods in the stu...
The application of density functional theory to calculate adsorption properties, reac-tion pathways,...
Man-made homogeneous catalysis with the aid of transition metal compounds looks back on a long histo...
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