Theoretical study of crown ethers with incorporated azobenzene moiety

Journal of Molecular Modeling

Volumn 18, Issue 3, 2012, Pages 963-972

  Miao, Yuan ^a   Wang, Xueye ^a   Ouyang, Dan ^a  

^a XIANGTAN UNIVERSITY   (China)

Author keywords

Azobenzene crown ethers (ACEs); Photoisomerization; Preorganization; Switchable molecules; Time dependent density functional theory (TDDFT)

Indexed keywords

AZOBENZENE; CHROMIUM; ETHER; LITHIUM ION; OXYGEN; POTASSIUM ION; SODIUM ION;

ABSORPTION; ARTICLE; CHEMICAL ANALYSIS; CHEMICAL BOND; CHEMICAL COMPOSITION; CHEMICAL INTERACTION; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRON; ISOMER; PARTICLE SIZE; PRIORITY JOURNAL; STEREOCHEMISTRY; THERMODYNAMICS;

AZO COMPOUNDS; CROWN ETHERS; METALS, ALKALI; MODELS, MOLECULAR; MODELS, THEORETICAL; MOLECULAR STRUCTURE; THERMODYNAMICS;

EID: 84861321635     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-011-1132-2     Document Type: Article

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