A modified DMBE IV Potential with spectroscopic accuracy: vibrational levels and rotational constants
The corrected DMBE IV potential, here named DMBE IV-C, accurately reproduces the vibrational levels (errors < 0.01 cm-1) and rotational constants, while keeping constant the remaining features of this PES that should control the reaction dynamics.
| Autor principal: | |
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| Formato: | conferenceObject |
| Idioma: | eng |
| Publicado em: |
2015
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| Texto completo: | http://hdl.handle.net/10400.1/6710 |
| País: | Portugal |
| Oai: | oai:sapientia.ualg.pt:10400.1/6710 |