ISSN:
0948-5023
Keywords:
MM3 force field
;
Host-guest-chemistry
;
β-cyclodextrin
;
Paracyclophanes
;
Fluorochlorinated hydrocarbons
;
Mass-sensitive detection
;
Prediction of sensor effects
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract Molecular modeling by force-field methods is a straightforward highly convenient tool for the calculation of host-guest systems comprising a large number of atoms. [1, 2, 3] As a practical application we use the calculated data to interpret and predict the potential of mass-sensitive chemical sensors that utilize coating materials on the basis of supramolecular host compounds. Inclusion complexes of modified β-cyclodextrins and tetraazaparacyclophanes with fluorochlorinated anesthetics were calculated and compared to experimental data.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/s0089460020410
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