The use of quantum molecular calculations to guide a genetic algorithm: A way to search for new chemistry

Chemistry - A European Journal

Volumn 13, Issue 12, 2007, Pages 3406-3413

  Durrant, Marcus C ^a  

^a NORTHUMBRIA UNIVERSITY   (United Kingdom)

Author keywords

Density functional calculations; Genetic algorithms; Molecular evolution; Nitrides; Reaction mechanisms

Indexed keywords

DENSITY FUNCTIONAL THEORY; GENETIC ALGORITHMS; LEAD COMPOUNDS; NITRIDES; REACTION KINETICS;

MOLECULAR EVOLUTION; REACTION MECHANISMS;

QUANTUM CHEMISTRY;

NITROGEN; ORGANOMETALLIC COMPOUND; TRANSITION ELEMENT;

ALGORITHM; ARTICLE; BIOLOGICAL MODEL; BIOLOGY; CHEMISTRY; PHENOTYPE; QUANTUM THEORY; THERMODYNAMICS;

ALGORITHMS; COMPUTATIONAL BIOLOGY; MODELS, GENETIC; NITROGEN; ORGANOMETALLIC COMPOUNDS; PHENOTYPE; QUANTUM THEORY; THERMODYNAMICS; TRANSITION ELEMENTS;

EID: 34250333932     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.200601255     Document Type: Article

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