Pure parameters

Pure parameter A parameter which represents a single effect. 

CR equation A diparametric electrical effect model using the composite act and pure parameters. A value of Pd is assumed and a value of q calculated. 

It must be noted that in order to be explicative, SPQR must be obtained either by using pure parameters or by using composite parameters of known composition. A pure parameter is a parameter which represents a single structural effect. A composite parameter is a parameter that represents two or more structural effects. 

In order to use the UNIQUAC pure parameters in all the mixing rules, it was necessary to regress them, because its value obtained from group contribution did not perform well ... 

PM3 differs from AMI in that the former treats the one-center, two-electron integrals as pure parameters, as opposed to being derived from atomic spectroscopy. In PM3 all quantities that enter the Fock matrix and the total energy expression have been treated as pure parameters. 

---