The Information · NIST AI
Reproducing these results is a test of the correctness of codes, either written by the user or obtained elsewhere
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The information presented here has been organized into several different pages.
Key facts
- The bond length is fixed at 1.16Å and the oxygen-carbon-oxygen bond angle is fixed at 180°
- The TraPPE model of Carbon Dioxide was developed by Siepmann and coworkers [ 1 ]
- The purpose of these pages is to provide some explicit results from Monte Carlo simulations for TraPPE Carbon Dioxide
- Reproducing these results is a test of the correctness of codes, either written by the user or obtained elsewhere
Summary
The purpose of these pages is to provide some explicit results from Monte Carlo simulations for TraPPE Carbon Dioxide. The TraPPE model of Carbon Dioxide was developed by Siepmann and coworkers .