A recent development in computational chemistry: chemical reactions from first principles molecular dynamics simulations

Chemical Society Reviews

Volumn 32, Issue 3, 2003, Pages 151-157

  van Speybroeck, Veronique ^a   Meier, Robert J ^b  

^a GHENT UNIVERSITY   (Belgium)

^b DSM RESEARCH   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSIS; ENERGY; FINITE ELEMENT ANALYSIS; MATHEMATICAL ANALYSIS; MOLECULAR DYNAMICS; POLYMERIZATION; REVIEW; SIMULATION; TEMPERATURE; THERMAL ANALYSIS; BIOCHEMISTRY; CHEMICAL MODEL; CHEMICAL STRUCTURE; COMPUTER SIMULATION; METHODOLOGY; THERMODYNAMICS;

BIOCHEMISTRY; CATALYSIS; COMPUTER SIMULATION; MODELS, CHEMICAL; MODELS, MOLECULAR; THERMODYNAMICS;

EID: 0038339908     PISSN: 03060012     EISSN: 14604744     Source Type: Journal    
DOI: 10.1039/b210410p     Document Type: Article

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