Quantum Chemistry Approaches to Chemisorption and Heterogeneous Catalysis
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Published By Springer Netherlands

9789048141098, 9789401728256

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Semiempirical Quantum-Chemical Studies of Catalysts with Transition Metals: EHT and Related Approaches

Quantum Chemistry Approaches to Chemisorption and Heterogeneous Catalysis ◽

10.1007/978-94-017-2825-6_7 ◽

1992 ◽

pp. 201-229

Author(s):

S. Beran ◽

Z. Slanina

Keyword(s):

Transition Metals ◽

Quantum Chemical ◽

Chemical Studies ◽

Quantum Chemical Studies

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Application of MINDO to Adsorption and Catalysis

Quantum Chemistry Approaches to Chemisorption and Heterogeneous Catalysis ◽

10.1007/978-94-017-2825-6_6 ◽

1992 ◽

pp. 181-200 ◽

Author(s):

G. Blyholder

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A Generalized Valence Bond View of Chemisorption and Reactions on Transition Metal Surfaces

Quantum Chemistry Approaches to Chemisorption and Heterogeneous Catalysis ◽

10.1007/978-94-017-2825-6_1 ◽

1992 ◽

pp. 3-36

Author(s):

T. H. Upton ◽

P. A. Stevens

Keyword(s):

Transition Metal ◽

Metal Surfaces ◽

Valence Bond ◽

Generalized Valence Bond ◽

Transition Metal Surfaces

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Model Hamiltonian Approach to Adsorption Theory

Quantum Chemistry Approaches to Chemisorption and Heterogeneous Catalysis ◽

10.1007/978-94-017-2825-6_5 ◽

1992 ◽

pp. 137-180

Author(s):

G. Doyen ◽

D. Drakova

Keyword(s):

Hamiltonian Approach ◽

Adsorption Theory ◽

Model Hamiltonian

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Quantum Mechanical Calculations of Chemical Interactions on Transition Metal Surfaces

Quantum Chemistry Approaches to Chemisorption and Heterogeneous Catalysis ◽

10.1007/978-94-017-2825-6_9 ◽

1992 ◽

pp. 253-359 ◽

Author(s):

Fernando Ruette ◽

Anibal Sierraalta ◽

Antonio Hernandez

Keyword(s):

Transition Metal ◽

Metal Surfaces ◽

Quantum Mechanical ◽

Quantum Mechanical Calculations ◽

Chemical Interactions ◽

Transition Metal Surfaces

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A Cluster Model for Reactions on Transition Metal Surfaces

Quantum Chemistry Approaches to Chemisorption and Heterogeneous Catalysis ◽

10.1007/978-94-017-2825-6_2 ◽

1992 ◽

pp. 37-65 ◽

Author(s):

Ulf Wahlgren ◽

Per Siegbahn

Keyword(s):

Transition Metal ◽

Cluster Model ◽

Metal Surfaces ◽

Transition Metal Surfaces

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Density Functional Theory in the Context of Local-Scaling Transformations and Its Prospects for Applications in Catalysis

Quantum Chemistry Approaches to Chemisorption and Heterogeneous Catalysis ◽

10.1007/978-94-017-2825-6_4 ◽

1992 ◽

pp. 105-135

Author(s):

Eugene S. Kryachko ◽

E. V. Ludeña ◽

Vladimiro Mujica

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Functional Theory ◽

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Interaction of Transition Metal Clusters with Atoms, Molecules and Surfaces

Quantum Chemistry Approaches to Chemisorption and Heterogeneous Catalysis ◽

10.1007/978-94-017-2825-6_3 ◽

1992 ◽

pp. 67-104

Author(s):

D. E. Ellis ◽

J. Guo ◽

J. J. Low

Keyword(s):

Transition Metal ◽

Metal Clusters ◽

Transition Metal Clusters

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Reaction Energetics on Transition Metal Surfaces: A Bond-Order Conservation Approach

Quantum Chemistry Approaches to Chemisorption and Heterogeneous Catalysis ◽

10.1007/978-94-017-2825-6_8 ◽

1992 ◽

pp. 231-252

Author(s):

E. Shustorovich

Keyword(s):

Transition Metal ◽

Metal Surfaces ◽

Transition Metal Surfaces

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