Experimentally-based recommendations of density functionals for predicting properties in mechanically interlocked molecules

Journal of the American Chemical Society

Volumn 130, Issue 45, 2008, Pages 14928-14929

  Benitez, Diego ^b   Tkatchouk, Ekaterina ^a   Yoon, Il ^b   Stoddart, J Fraser ^b   Goddard III, William A ^a  

^a CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ROTAXANE;

ARTICLE; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ENERGY TRANSFER; EXCITATION; EXPERIMENTATION; MOLECULAR ELECTRONICS; MOLECULE; QUANTUM MECHANICS; X RAY DIFFRACTION;

EID: 57349095296     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja805953u     Document Type: Article

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