Ab initio vibration—rotation coupling co
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Peter Botschwina; Jörg Flügge
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Article
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1991
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Elsevier Science
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English
⚖ 403 KB
The equilibrium geometries of NCCN and CNCN were calculated from experimental ground-state rotational constants and ab initio values for the vibration-rotation coupling constants. For NCCN. R,,(NC)=1.1578(5) A and Rze(CC)= 1.3839(5) A were obtained, where estimated error bars are given in parenthese