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A quantitative determination of reaction mechanisms from density functional theory calculations : Fischer-Tropsch synthesis on flat and stepped cobalt surfaces

Author
JUN CHENG1 ; GONG, Xue-Qing1 ; HU, P1 ; LOK, C. Martin2 ; ELLIS, Peter3 ; FRENCH, Sam3
[1] School of Chemistry and Chemical Engineering, The Queen's University of Belfast, Belfast, BT9 5AG, United Kingdom
[2] Johnson Matthey Technology Centre, Billingham Cleveland, TS23 JLB, United Kingdom
[3] Johnson Matthey Technology Centre, Reading, RG4 9NH, United Kingdom
Source

Journal of catalysis (Print). 2008, Vol 254, Num 2, pp 285-295, 11 p ; ref : 53 ref

CODEN
JCTLA5
ISSN
0021-9517
Scientific domain
General chemistry, physical chemistry
Publisher
Elsevier, Amsterdam
Publication country
Netherlands
Document type
Article
Language
English
Author keyword
C-C coupling Co DFT Fischer-Tropsch Mechanism
Keyword (fr)
Calcul Catalyse hétérogène Cobalt Fonctionnelle densité Mécanisme réaction Synthèse Fischer Tropsch Théorie fonctionnelle Métal transition
Keyword (en)
Calculation Heterogeneous catalysis Cobalt Density functional Reaction mechanism Fischer Tropsch synthesis Functional theory Transition metal
Keyword (es)
Cálculo Catálisis heterogénea Cobalto Funciónal densidad Mecanismo reacción Síntesis Fischer Tropsch Teoría funcional Metal transición
Classification
Pascal
001 Exact sciences and technology / 001C Chemistry / 001C01 General and physical chemistry / 001C01A Theory of reactions, general kinetics. Catalysis. Nomenclature, chemical documentation, computer chemistry / 001C01A03 Catalysis

Discipline
General chemistry and physical chemistry
Origin
Inist-CNRS
Database
PASCAL
INIST identifier
20162606

Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS

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