Multiscale modelling in computational heterogeneous catalysis

Topics in Current Chemistry

Volumn 307, Issue , 2012, Pages 69-108

  Keil, F J ^a  

^a HAMBURG UNIVERSITY OF TECHNOLOGY   (Germany)

Author keywords

Computational heterogeneous catalysis; Molecular dynamics; Monte Carlo; Multiscale modelling; Quantum chemistry

Indexed keywords

BENZENE;

ADSORPTION; ALKYLATION; ARTICLE; CATALYSIS; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; DIFFUSION; MONTE CARLO METHOD; ORGANIC CHEMISTRY; POROSITY; QUANTUM THEORY; THERMODYNAMICS;

ADSORPTION; ALKYLATION; BENZENE; CATALYSIS; CHEMISTRY, ORGANIC; COMPUTER SIMULATION; DIFFUSION; MODELS, MOLECULAR; MONTE CARLO METHOD; POROSITY; QUANTUM THEORY; THERMODYNAMICS;

EID: 81855185388     PISSN: 03401022     EISSN: None     Source Type: Book Series    
DOI: 10.1007/128-2011_128     Document Type: Article

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