Theoretical Aspects of Heterogeneous Catalysis - Progress in Theoretical Chemistry and Physics
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Published By Springer Netherlands

9781402001277, 9780306476679

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The Valency Effect on Reaction Pathways in Heterogeneous Catalysis: Insight from Density Functional Theory Calculations

Theoretical Aspects of Heterogeneous Catalysis - Progress in Theoretical Chemistry and Physics ◽

10.1007/0-306-47667-3_8 ◽

2001 ◽

pp. 199-215 ◽

Cited By ~ 4

Author(s):

A. Michaelides ◽

P. Hu

Keyword(s):

Density Functional Theory ◽

Heterogeneous Catalysis ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Reaction Pathways ◽

Functional Theory

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Ab Initio Simulations of Zeolite Reactivity

Theoretical Aspects of Heterogeneous Catalysis - Progress in Theoretical Chemistry and Physics ◽

10.1007/0-306-47667-3_4 ◽

2001 ◽

pp. 77-108 ◽

Cited By ~ 1

Author(s):

János G. Ángyán ◽

Drew Parsons ◽

Yannick Jeanvoine

Keyword(s):

Ab Initio ◽

Ab Initio Simulations

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The Adsorption of Acetylene and Ethylene on Transition Metal Surfaces

Theoretical Aspects of Heterogeneous Catalysis - Progress in Theoretical Chemistry and Physics ◽

10.1007/0-306-47667-3_9 ◽

2001 ◽

pp. 217-240 ◽

Cited By ~ 5

Author(s):

C.G.P.M. Bernardo ◽

J.A.N.F. Gomes

Keyword(s):

Transition Metal ◽

Metal Surfaces ◽

Transition Metal Surfaces

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Theoretical Approaches of the Reactivity at MgO(100) and TiO2(110) Surfaces

Theoretical Aspects of Heterogeneous Catalysis - Progress in Theoretical Chemistry and Physics ◽

10.1007/0-306-47667-3_10 ◽

2001 ◽

pp. 241-249 ◽

Cited By ~ 2

Author(s):

Christian Minot

Keyword(s):

Theoretical Approaches

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Theoretical Study of Reactions Catalyzed by Acidic Zeolite

Theoretical Aspects of Heterogeneous Catalysis - Progress in Theoretical Chemistry and Physics ◽

10.1007/0-306-47667-3_1 ◽

2001 ◽

pp. 1-28 ◽

Cited By ~ 2

Author(s):

Xavier Rozanska ◽

Rutger A. van Santen ◽

François Hutschka

Keyword(s):

Theoretical Study

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Chemical Reactions of Alkanes Catalysed by Zeolites

Theoretical Aspects of Heterogeneous Catalysis - Progress in Theoretical Chemistry and Physics ◽

10.1007/0-306-47667-3_3 ◽

2001 ◽

pp. 39-75

Author(s):

E. A. Furtado ◽

M. A. Chaer Nascimento

Keyword(s):

Chemical Reactions

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Role of Point Defects in the Catalytic Activation of Pd Atoms Supported on the MgO Surface

Theoretical Aspects of Heterogeneous Catalysis - Progress in Theoretical Chemistry and Physics ◽

10.1007/0-306-47667-3_7 ◽

2001 ◽

pp. 183-198 ◽

Cited By ~ 2

Author(s):

G. Pacchioni ◽

L. Giordano ◽

A. M. Ferrari ◽

S. Abbet ◽

U. Heiz

Keyword(s):

Point Defects ◽

Catalytic Activation ◽

Mgo Surface

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Quantum Chemical Modeling the Location of Extraframework Metal Cations in Zeolites

Theoretical Aspects of Heterogeneous Catalysis - Progress in Theoretical Chemistry and Physics ◽

10.1007/0-306-47667-3_2 ◽

2001 ◽

pp. 29-38 ◽

Cited By ~ 1

Author(s):

G. N. Vayssilov

Keyword(s):

Quantum Chemical ◽

Metal Cations ◽

Quantum Chemical Modeling ◽

Chemical Modeling

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Modelling of Oxide-Supported Metals

Theoretical Aspects of Heterogeneous Catalysis - Progress in Theoretical Chemistry and Physics ◽

10.1007/0-306-47667-3_5 ◽

2001 ◽

pp. 109-147 ◽

Cited By ~ 2

Author(s):

M. Alfredsson ◽

S.T. Bromley ◽

C.R.A. Catlow

Keyword(s):

Supported Metals

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Elementary Steps of Catalytic Processes on Metallic and Bimetallic Surfaces

Theoretical Aspects of Heterogeneous Catalysis - Progress in Theoretical Chemistry and Physics ◽

10.1007/0-306-47667-3_6 ◽

2001 ◽

pp. 149-181 ◽

Cited By ~ 2

Author(s):

F. Illas ◽

C. Sousa ◽

J.R.B. Gomes ◽

A. Clotet ◽

J.M. Ricart

Keyword(s):

Elementary Steps ◽

Bimetallic Surfaces ◽

Catalytic Processes

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Theoretical Aspects of Heterogeneous Catalysis - Progress in Theoretical Chemistry and PhysicsLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Springer Netherlands

The Valency Effect on Reaction Pathways in Heterogeneous Catalysis: Insight from Density Functional Theory Calculations

Ab Initio Simulations of Zeolite Reactivity

The Adsorption of Acetylene and Ethylene on Transition Metal Surfaces

Theoretical Approaches of the Reactivity at MgO(100) and TiO2(110) Surfaces

Theoretical Study of Reactions Catalyzed by Acidic Zeolite

Chemical Reactions of Alkanes Catalysed by Zeolites

Role of Point Defects in the Catalytic Activation of Pd Atoms Supported on the MgO Surface

Quantum Chemical Modeling the Location of Extraframework Metal Cations in Zeolites

Modelling of Oxide-Supported Metals

Elementary Steps of Catalytic Processes on Metallic and Bimetallic Surfaces

Theoretical Aspects of Heterogeneous Catalysis - Progress in Theoretical Chemistry and Physics
Latest Publications