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Calculation of chemical reaction energies using the AM05 density functional |
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| Authors: | Richard P. Muller Ann E. Mattsson Curtis L. Janssen |
| Affiliation: | 1. Multiscale Dynamic Material Modeling, Sandia National Laboratories, Albuquerque, New Mexico;2. Scalable Computing Research and Development, Sandia National Laboratories, Livermore, California |
| Abstract: | |
| Keywords: | quantum chemistry dft AM05 |