Molecular model for host-guest interaction of tetraamino-tert-butylthiacalix[4]arene and tetraamino-tert-butylcalix[4]arene receptors with carboxylate and dicarboxylate guests: An ONIOM study

Journal of Molecular Modeling

Volumn 13, Issue 1, 2007, Pages 65-77

  Ruangpornvisuti, Vithaya ^a   Wanno, Banchob ^a  

^a CHULALONGKORN UNIVERSITY   (Thailand)

Author keywords

Calix 4 arenas; Carboxylate; Host guest; ONIOM; Recognition; Selectivity

Indexed keywords

ACETIC ACID; ADIPIC ACID; CARBOXYLIC ACID; DICARBOXYLIC ACID; GLUTARIC ACID; MALONIC ACID; OXALIC ACID; PIMELIC ACID; RECEPTOR; SUCCINIC ACID; TETRAAMINO TERT BUTYLCALIX[4]ARENE RECEPTOR; TETRAAMINO TERT BUTYLTHIACALIX[4]ARENE RECEPTOR; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL INTERACTION; CHEMICAL STRUCTURE; COMPLEX FORMATION; GEOMETRY; MOLECULAR MODEL; MOLECULAR RECOGNITION; PRIORITY JOURNAL; THERMODYNAMICS;

CALIXARENES; CARBOXYLIC ACIDS; MODELS, MOLECULAR; MOLECULAR STRUCTURE;

EID: 37849186392     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-006-0122-2     Document Type: Article

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