Non-empirical molecular orbital calculations on the protonation of carbon monoxide
作者： H.B. Jansen , P. Ros
DOI: 10.1016/0009-2614(69)80118-1
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摘要: Abstract Non-empirical calculations with Gaussian functions have been performed for several configurations of protonated carbon monoxide. The stablest configuration CO appears to be a linear [HCO]+ structure. distance in this structure is 0.02 A smaller than itself and the energy system 152 kcal/mole below CO-energy.
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