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
The sections in this article are 1 Introduction 2 Elementary Quantum-Chemical Theory of Chemisorptio...
Introduction A. General The heart of many commercial catalytic processes involves chemistry on trans...
Catalysis describes the acceleration of a chemical reaction by means of a substance that is itself n...
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 chemical bond are il-lus...
The quantum chemist's and surface physicist's view of the surface chem. bond are illustrated by mean...
Quantum‐chemistry of chemisorption is discussed based on partial density of states and crystal orbit...
Recent theoretical progress in gas-surface reaction dynamics, a field relevant to heterogeneous cata...
The electronic basis to the surface chemical bond of molecules and atoms chemisorbed to transition-m...
Recent theoretical progress in gas-surface reaction dynamics, a field relevant to heterogeneous cata...
\u3cp\u3eWe present an introduction to the computational modeling of transition states for catalytic...
A review is presented with 101 refs. on chem. bonding to metal surfaces and small metal particles de...
The sections in this article are 1 Introduction 2 Elementary Quantum-Chemical Theory of Chemisorptio...
Introduction A. General The heart of many commercial catalytic processes involves chemistry on trans...
Catalysis describes the acceleration of a chemical reaction by means of a substance that is itself n...
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 chemical bond are il-lus...
The quantum chemist's and surface physicist's view of the surface chem. bond are illustrated by mean...
Quantum‐chemistry of chemisorption is discussed based on partial density of states and crystal orbit...
Recent theoretical progress in gas-surface reaction dynamics, a field relevant to heterogeneous cata...
The electronic basis to the surface chemical bond of molecules and atoms chemisorbed to transition-m...
Recent theoretical progress in gas-surface reaction dynamics, a field relevant to heterogeneous cata...
\u3cp\u3eWe present an introduction to the computational modeling of transition states for catalytic...
A review is presented with 101 refs. on chem. bonding to metal surfaces and small metal particles de...
The sections in this article are 1 Introduction 2 Elementary Quantum-Chemical Theory of Chemisorptio...
Introduction A. General The heart of many commercial catalytic processes involves chemistry on trans...
Catalysis describes the acceleration of a chemical reaction by means of a substance that is itself n...
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