| Автор | Kafri, Oded |
| Автор | Berry, Michael J. |
| Дата выпуска | 1977 |
| dc.description | We have devised a fully empirical procedure for generating chemically accurate (i.e., within a few kcal mol<sup>â 1</sup>) potential hypersurfaces for triatomic bimolecular reaction systems. The procedure is described and applied to the H3 system. Calibration of the H3 empirical surface by comparison with the best ab initio H3 surface suggests considerable utility of the empirical procedure. |
| Формат | application.pdf |
| Издатель | Royal Society of Chemistry |
| Название | A new empirical potential hypersurface for bimolecular reaction systems |
| Тип | research-article |
| DOI | 10.1039/DC9776200127 |
| Print ISSN | 0301-7249 |
| Журнал | Faraday Discussions of the Chemical Society |
| Том | 62 |
| Первая страница | 127 |
| Последняя страница | 137 |
