| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5379160 | Chemical Physics Letters | 2016 | 5 Pages |
Abstract
- We calculate enthalpies of formation with the G2, G3, G4, and ccCA-PS3 methods.
- Results for HMX and PETN represent the largest molecules attempted with these methods.
- Mean absolute deviations from average experimental values are 12, 6, 7, and 3Â kcal/mol.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
M. Riad Manaa, Laurence E. Fried, I-Feng W. Kuo,