Theory-Aided Catalyst Design

Design of Heterogeneous Catalysts: New Approaches based on Synthesis, Characterization and Modeling

Volumn , Issue , 2009, Pages 231-258

  Neurock, Matthew ^a  

^a UNIVERSITY OF VIRGINIA   (United States)

Author keywords

Alloys; Ammonia synthesis; Br nsted evans polanyi relationship; Catalyst design; Computational screening; Density functional theory; Descriptors; Kinetic monte carlo; Methanation; NO decomposition; Quantum chemical; Vinyl acetate synthesis

Indexed keywords

EID: 84889348497     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1002/9783527625321.ch10     Document Type: Chapter

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