Journal of Chemical Information and Computer Sciences · 2001 · 26 citations · 7 references
Natural SciencesChemical EngineeringChemistryPhysical ChemistryStatistical ModelingThermodynamicsChemical ThermodynamicsReaction ThermodynamicsStatistical ThermodynamicsEnthalpy EstimationLinear RegressionThermodynamic Relationships
A program is described for statistically correct calculations of the enthalpy-entropy relationship, applicable also generally for linear regression when several regression lines are constrained by a common point of intersection. Examples from the chemical literature show the difference between a correct and incorrect statistical treatment.
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