Collect. Czech. Chem. Commun. 2004, 69, 1169-1194

Recent Application of ab initio Calculations on Calixarenes and Calixarene Complexes. A Review

Jürgen Schatz

Division of Organic Chemistry I, University of Ulm, Albert-Einstein-Allee 11, D-89081 Ulm, Germany


In this short review the application of ab initio quantum chemical calculations on calixarenes and calixarene complexes is highlighted. The main focus lies on results obtained mainly during the last 2-3 years. A review with 92 references.

Keywords: Calixarenes; Inclusion compounds; Ab initio calculations; DFT; Conformation analysis; Quantum chemistry; Computer chemistry; Supramolecular chemistry.

References: 93 live references.