Comparison Viewer

Examine the performance multiple computational methodologies across multiple subsets of reactions in a single database. Select rows of method, basis, and options as a model chemistry to assess, a reference to measure against, and a subset of reactions over which to evaluate.

Configuration

Database

Thread Plot

Generate

PNG PDF EPS

Generate Unlabeled

PNG PDF EPS

Plot Range

kcal/mol

Reaction Subset (multiple allowed)

Model Chemistry

Reference

Reaction Error Distribution

Instructions

Each reaction for which computational results are available for this model chemistry is plotted below as error in kcal/mol with respect to the benchmark value. Overbound are negative values on the left, and underbound are positive values on the right. Run the mouse over the graph to identify individual points and click on the mouseover link for more information about the reaction.

Set download file formats above, either labeled as seen or unlabeled.

Mouseover

Download Thread Figure in PNG PDF EPS

Download Unlabeled Thread Figure in PNG PDF EPS