Collect. Czech. Chem. Commun.
2004, 69, 1169-1194
https://doi.org/10.1135/cccc20041169
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
Abstract
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.
