A quantum-mechanical description of macrocyclic ring rotation in benzylic amide [2]catenanes

Chemistry - A European Journal

Volumn 7, Issue 7, 2001, Pages 1450-1454

  Leigh, David A ^a   Troisi, Alessandro ^b   Zerbetto, Francesco ^b  

^a UNIVERSITY OF WARWICK   (United Kingdom)

^b UNIVERSITY OF BOLOGNA   (Italy)

Author keywords

Catenanes; Kinetics; Molecular dynamics; Molecular modeling

Indexed keywords

COMPUTER SIMULATION; HYDROGEN BONDS; MATHEMATICAL MODELS; NUCLEAR MAGNETIC RESONANCE; RATE CONSTANTS;

MACROCYCLIC RING ROTATIONS;

AROMATIC COMPOUNDS;

AMIDE; BENZILIC ACID DERIVATIVE; BENZYLIC AMIDE[2]CATENANE; CATENANE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL REACTION; CHIRALITY; HYDROGEN BOND; MOLECULAR DYNAMICS; MOLECULAR MODEL; NUCLEAR MAGNETIC RESONANCE; QUANTUM MECHANICS; REPRODUCIBILITY; ROTATION; SIMULATION; SYNTHESIS; TEMPERATURE DEPENDENCE;

EID: 0035312948     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/1521-3765(20010401)7:7<1450::AID-CHEM1450>3.0.CO;2-N     Document Type: Article

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