Quantum Effects on the D + H3+ → H2D+ + H Deuteration Reaction and Isotopic Variants
نویسندگان
چکیده
منابع مشابه
On the Rovibrational Levels of the H3 ÷ and H2d ÷ Molecules
Variationally exact rovibrational levels for the H3 + and H2D ÷ molecules are calculated using a recently published accurate potential. Vibrational fundamentals are va1=3191 cm-1 and vE=2494 (2521.6) cm-1 for H3 + and vl=3000cm-1, v~=2184cm-x and v3=2310cm-1 for H~D +. For H3 + calculated ground state rotational constants are B0 = 43.51 (43-57) cm-1, Co = 20.59 (20-71) cm-1, Dj ° = 0.04 (0.05) ...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry A
سال: 2019
ISSN: 1089-5639,1520-5215
DOI: 10.1021/acs.jpca.9b06081