Quantum chem. aspects of chem. bonding to metal surfaces are discussed with 58 refs. A Frontier Orbital Theory of chemisorption can be developed in which the group orbital local d. of states at the Fermi level replaces the HOMO and LUMO interactions familiar in org. or organometallic chem. Dissocn. of the H2 mol. and H atom recombination are discusse
State of the art computational quantum-chemical methods enable the modelling of catalytically active...
A review with 21 refs.; The reaction mechanisms of two transition metal catalyzed reactions are disc...
A MO theory of chemisorption is presented that relates the structure of the adsorption site to the g...
Quantum chem. aspects of chem. bonding to metal surfaces are discussed with 58 refs. A Frontier Orbi...
The quantum chemist's and surface physicist's view of the surface chem. bond are illustrated by mean...
Introduction A. General The heart of many commercial catalytic processes involves chemistry on trans...
A short overview is presented of current status of computational chemistry with respect to issues in...
Rules of chemisorption of atoms and molecules to transition- metal surfaces are analyzed in terms of...
Catalysis describes the acceleration of a chemical reaction by means of a substance that is itself n...
A review is presented with 101 refs. on chem. bonding to metal surfaces and small metal particles de...
Recent theoretical progress in gas-surface reaction dynamics, a field relevant to heterogeneous cata...
State of the art computational quantum-chemical methods enable the modelling of catalytically active...
A review with 21 refs.; The reaction mechanisms of two transition metal catalyzed reactions are disc...
A MO theory of chemisorption is presented that relates the structure of the adsorption site to the g...
Quantum chem. aspects of chem. bonding to metal surfaces are discussed with 58 refs. A Frontier Orbi...
The quantum chemist's and surface physicist's view of the surface chem. bond are illustrated by mean...
Introduction A. General The heart of many commercial catalytic processes involves chemistry on trans...
A short overview is presented of current status of computational chemistry with respect to issues in...
Rules of chemisorption of atoms and molecules to transition- metal surfaces are analyzed in terms of...
Catalysis describes the acceleration of a chemical reaction by means of a substance that is itself n...
A review is presented with 101 refs. on chem. bonding to metal surfaces and small metal particles de...
Recent theoretical progress in gas-surface reaction dynamics, a field relevant to heterogeneous cata...
State of the art computational quantum-chemical methods enable the modelling of catalytically active...
A review with 21 refs.; The reaction mechanisms of two transition metal catalyzed reactions are disc...
A MO theory of chemisorption is presented that relates the structure of the adsorption site to the g...
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