On the importance of electron correlation effects for the π-π interactions in cyclophanes

Chemistry - A European Journal

Volumn 10, Issue 14, 2004, Pages 3423-3429

  Grimme, Stefan ^a  

^a UNIVERSITY OF MÜNSTER   (Germany)

Author keywords

Ab initio calculations; Cyclophanes; Density functional calculations; Pi interactions; Stacking interactions

Indexed keywords

AROMATIC COMPOUNDS; CORRELATION METHODS; CRYSTAL STRUCTURE; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION; VIBRATION CONTROL;

AROMATIC RINGS; CYCLOPHANES; QUANTUM CHEMICAL METHODS;

ELECTRONS;

16 METHYL[2.2]METAPARACYCLOPHANE; 2,6,15 TRITHIA[3 4,10][7]METACYCLOPHANE; 8,16 DIMETHYL[2.2]METACYCLOPHANE; [2.2]PARACYCLOPHANE; AROMATIC COMPOUND; CYCLOPHANE; CYCLOPHANE DERIVATIVE; SULFUR; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ACCELERATION; ARTICLE; ATOM; CHEMICAL STRUCTURE; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; DISPERSION; ELECTRON; GEOMETRY; MOLECULAR INTERACTION; POLARIZATION; QUALITATIVE ANALYSIS; QUANTITATIVE ANALYSIS; QUANTUM CHEMISTRY; VIBRATION; X RAY ANALYSIS;

EID: 3242880553     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/chem.200400091     Document Type: Article

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