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Computational and Theoretical Chemistry

Volumn 966, Issue 1-3, 2011, Pages 186-193

Genetic algorithm density functional theory study of crown ether-dibenzylammonium [2]pseudorotaxanes

(5) Klipfel, Marco a,b Réthoré, Céline a Muller, Thierry a Bräse, Stefan a Klopper, Wim a

a KARLSRUHE INSTITUTE OF TECHNOLOGY (Germany)

b JOINT RESEARCH CENTRE (Italy)

Author keywords

Crown ether; Density functional theory; Dibenzylammonium; Genetic algorithm; Post Hartree Fock method; 2 pseudorotaxane

Indexed keywords

EID: 84855170124 PISSN: 2210271X EISSN: None Source Type: Journal
DOI: 10.1016/j.comptc.2011.02.033 Document Type: Article

Times cited : (4)

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