Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
6527821 | Journal of Catalysis | 2013 | 15 Pages |
Abstract
⺠Evidence shows several semi-empirical techniques have normally distributed errors. ⺠Group-additivity works well for large molecules but less well for smaller species. ⺠Linear scaling relations give purely random errors only with regressed parameters. ⺠Oxygenates may have different linear scaling relation parameters than hydrocarbons. ⺠Systematic errors in one technique propagate through techniques used in series.
Related Topics
Physical Sciences and Engineering
Chemical Engineering
Catalysis
Authors
Jonathan E. Sutton, Dionisios G. Vlachos,