Please use this identifier to cite or link to this item:
https://scholarbank.nus.edu.sg/handle/10635/104734
DC Field | Value | |
---|---|---|
dc.title | Application of interpolated potential energy surfaces to quantum reactive scattering | |
dc.contributor.author | Collins, M.A. | |
dc.contributor.author | Zhang, D.H. | |
dc.date.accessioned | 2014-10-28T03:11:09Z | |
dc.date.available | 2014-10-28T03:11:09Z | |
dc.date.issued | 1999-12-08 | |
dc.identifier.citation | Collins, M.A.,Zhang, D.H. (1999-12-08). Application of interpolated potential energy surfaces to quantum reactive scattering. Journal of Chemical Physics 111 (22) : 9924-9931. ScholarBank@NUS Repository. | |
dc.identifier.issn | 00219606 | |
dc.identifier.uri | http://scholarbank.nus.edu.sg/handle/10635/104734 | |
dc.description.abstract | The accuracy of an interpolation approach to molecular potential energy surfaces for quantum reactive scattering is demonstrated by comparison of the quantum reaction probability for a model surface and its interpolated approximation. Effective convergence of an ab initio surface with the size of the interpolation data set is demonstrated for the reaction BeH+H2 → BeH2+H. © 1999 American Institute of Physics. | |
dc.source | Scopus | |
dc.type | Article | |
dc.contributor.department | COMPUTATIONAL SCIENCE | |
dc.description.sourcetitle | Journal of Chemical Physics | |
dc.description.volume | 111 | |
dc.description.issue | 22 | |
dc.description.page | 9924-9931 | |
dc.description.coden | JCPSA | |
dc.identifier.isiut | NOT_IN_WOS | |
Appears in Collections: | Staff Publications |
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