DFT study of cycloparaphenylenes and heteroatom-substituted nanohoops

Journal of Organic Chemistry

Volumn 75, Issue 19, 2010, Pages 6595-6604

  Bachrach, Steven M ^a   Stück, David ^a  

^a TRINITY UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC RINGS; B3LYP/6-31G; BEND ANGLE; BUILDING BLOCKES; BULK PROPERTIES; DFT STUDY; DIHEDRAL ANGLES; HETEROATOMS; MACROCYCLES; RIBBON STRUCTURES; RIBBON-LIKE STRUCTURES; STERIC INTERACTIONS;

O RINGS;

CYCLOPARAPHENYLENE DERIVATIVE; MACROCYCLIC COMPOUND; NANOHOOP; NITROGEN; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL STRUCTURE; CONFORMATION; DENSITY FUNCTIONAL THEORY; SUBSTITUTION REACTION;

BENZENE DERIVATIVES; MOLECULAR DYNAMICS SIMULATION; MOLECULAR STRUCTURE; NANOSTRUCTURES;

EID: 77957170171     PISSN: 00223263     EISSN: 15206904     Source Type: Journal    
DOI: 10.1021/jo101371m     Document Type: Article

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