Molecular graphics investigation of macrocyclic complexes
- 1 January 1989
- journal article
- Published by Walter de Gruyter GmbH
- Vol. 61 (5) , 835-840
- https://doi.org/10.1351/pac198961050835
Abstract
The techniques of molecular graphics and molecular mechanics have been used to investigate several different structural problems concerned with macrocycles. These include predictions of detailed molecular geometry; calculations of the llgoodness of fitt1 of a metal ion inside a particular macrocycle in terms of defined geometric and energetic parameters; interactions between macrocyclic complexes and other molecules; and specifically the positioning of solvent guests within the macrocycle.Keywords
This publication has 0 references indexed in Scilit: