期刊
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 4, 期 24, 页码 6012-6017出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/b206379b
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Rovibrational states of D-3(+) for the 1 (1)A' ground singlet and first triplet 1 (3)A' electronic states are computed using previously reported accurate global potential energy surfaces. The differences with respect to experimental transition frequencies obtained for D-3(+) ((1)A') are, in general, smaller than those obtained for H-3(+) ((1)A'), what allows to determine an upper limit of the error of the potential energy surface, independently of adiabatic corrections. For the 1 (3)A', which has three degenerate minima at collinear configuration, the tunneling splittings are evaluated and compared with those obtained for the lighter H-3(+) isotopomer.
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