Add to ORKGMany transition metals and their compounds are active as heterogeneous catalysts for various chemical reactions, indicating the existence on surfaces of various intricate forms of bonding with intermediate species in the reactions. Also in many biological systems, transition metals and their complexes are indispensable. Understanding of the variety of these properties has to start with some understanding of the electronic structure of these materials. A combined experimental and theoretical study of this structure will be required. ... Zie: Summary
This work presents a study of the electronic structure of four transition metal oxides (TMOs) using ...
We discuss the case of NiO in detail to exemplify the use of photoemission experiments and model Ham...
At present, there is an increasing interest in the prediction of properties of classical and new mat...
Solomon EI, Randall DW, Glaser T. Electronic structures of active sites in electron transfer metallo...
Quantum‐chemical functions as Partial density of States and Crystal orbital Hamiltonian population a...
Some simple transition metal oxides such as NiO have incomplete atomic subshells and yet are highly ...
Understanding the fundamental mechanistic steps of transition metal catalyzed reactions is crucial f...
The dianionic oxo ligand occupies a very special place in coordination chem., owing to its ability t...
Metal-oxos are active intermediates in reactions crit. for life on Planet Earth, water oxidn. to oxy...
The work of the group is centred on the interplay between the electronic and molecular structure of ...
The electronic structure of transitional metals (Fe, Co, Ni, Pd, Pt, etc...) dissolved as impurities...
During the last decade, the concern of theoretical chemists has rested largely with approximate calc...
We discuss the case of NiO in detail to exemplify the use of photoemission experiments and model Ham...
The aim of this work is to determine the coir^utationally optimal route to the reliable first princi...
Transition metals complexes (TMCs) express a variety of interesting physical properties brought abou...
This work presents a study of the electronic structure of four transition metal oxides (TMOs) using ...
We discuss the case of NiO in detail to exemplify the use of photoemission experiments and model Ham...
At present, there is an increasing interest in the prediction of properties of classical and new mat...
Solomon EI, Randall DW, Glaser T. Electronic structures of active sites in electron transfer metallo...
Quantum‐chemical functions as Partial density of States and Crystal orbital Hamiltonian population a...
Some simple transition metal oxides such as NiO have incomplete atomic subshells and yet are highly ...
Understanding the fundamental mechanistic steps of transition metal catalyzed reactions is crucial f...
The dianionic oxo ligand occupies a very special place in coordination chem., owing to its ability t...
Metal-oxos are active intermediates in reactions crit. for life on Planet Earth, water oxidn. to oxy...
The work of the group is centred on the interplay between the electronic and molecular structure of ...
The electronic structure of transitional metals (Fe, Co, Ni, Pd, Pt, etc...) dissolved as impurities...
During the last decade, the concern of theoretical chemists has rested largely with approximate calc...
We discuss the case of NiO in detail to exemplify the use of photoemission experiments and model Ham...
The aim of this work is to determine the coir^utationally optimal route to the reliable first princi...
Transition metals complexes (TMCs) express a variety of interesting physical properties brought abou...
This work presents a study of the electronic structure of four transition metal oxides (TMOs) using ...
We discuss the case of NiO in detail to exemplify the use of photoemission experiments and model Ham...
At present, there is an increasing interest in the prediction of properties of classical and new mat...