✦ LIBER ✦

The vibrational spectra of H3+ and D3+: Improved values from new representations of AB initio surfaces

✍ Scribed by Bruce Martire; Peter G. Burton

Publisher: Elsevier Science
Year: 1985
Tongue: English
Weight: 200 KB
Volume: 121
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(85)87124-4

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✦ Synopsis

Resul& for the wbralional frequencws of H_T and D: are calculated usmg the polen~~al zurraces or Burlon van Nagy-Felsobuki Doherty and Hamlhon (BVDH) and DyI.s~a and Swope (DS) The vL rundamenlal rrrquencles rrom these polenuals Car H_z are 2519 29 and 2521 62 cm-' respectwely (exp 2521 6 cm-') For DC Ihe values are 1X31 07 and 1834 73 cm-' (exp 1835 3 cm-') The analyllcal lil used here for the BVDH surface 1s an improvement on prewously reporred fins [or this surrace m thal the low-lymg par[ or the well IS smphasslzed The present raults confirm the relallre accuracy and shape ol the surface mapped out by the clcutromc energ,= reported by BVDH 1. Introductaon

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