Determining molecular structures and conformations directly from electron diffraction using a genetic algorithm

ChemPhysChem

Volumn 7, Issue 2, 2006, Pages 353-362

  Habershon, Scott ^a   Zewail, Ahmed H ^a  

^a CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

Conformational analysis; Electron diffraction; Genetic algorithm; Molecular modeling; Reaction dynamics

Indexed keywords

CHROMOPHORES; ELECTRON DIFFRACTION; ELECTRONS; GENETIC ALGORITHMS; GLOBAL OPTIMIZATION; MOLECULAR MODELING; MOLECULAR STRUCTURE; MOLECULES; POTENTIAL ENERGY; QUANTUM CHEMISTRY; QUANTUM THEORY;

CONFORMATIONAL ANALYSIS; CONFORMATIONAL FLEXIBILITY; ELECTRON DIFFRACTION DATA; GAS PHASE ELECTRON DIFFRACTIONS; QUANTUM CHEMICAL CALCULATIONS; QUANTUM-MECHANICAL CALCULATION; REACTION DYNAMICS; STRUCTURE DETERMINATION;

CONFORMATIONS;

EID: 32944472134     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.200500532     Document Type: Article

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