Exploring phase-transfer catalysis with molecular dynamics and 3D/4D quantitative structure - Selectivity relationships

Journal of Chemical Information and Modeling

Volumn 45, Issue 4, 2005, Pages 971-981

  Melville, James L ^a   Lovelock, Kevin R J ^a   Wilson, Claire ^a   Allbutt, Bryan ^a   Burke, Edmund K ^a   Lygo, Barry ^a   Hirst, Jonathan D ^a  

^a UNIVERSITY OF NOTTINGHAM   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSIS; COMPUTATIONAL METHODS; CRYSTALS; DATABASE SYSTEMS; DRUG PRODUCTS; ELECTROSTATICS; PHASE TRANSITIONS; REACTION KINETICS; TRAJECTORIES;

CATALYST DESIGN; DATABASE SEARCHING; DRUG DESIGN; MOLECULAR MODELING; SELECTIVITY RELATIONSHIPS;

MOLECULAR DYNAMICS;

ARTICLE; CATALYSIS; CHEMICAL STRUCTURE; PHASE TRANSITION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; X RAY CRYSTALLOGRAPHY;

CATALYSIS; CRYSTALLOGRAPHY, X-RAY; MODELS, MOLECULAR; PHASE TRANSITION; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 23844502403     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci0500511     Document Type: Article

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