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- W2073100963 endingPage "1210" @default.
- W2073100963 startingPage "1191" @default.
- W2073100963 abstract "High-level ab initio molecular orbital calculations have been carried out to describe the potential energy surfaces for a series of systems corresponding formally to dimer ions of molecular hydrogen with an inert-gas atom or a first- or second-row hydride [X⋅⋅⋅H2]̇ +, where X=He, Ne, Ar, Kr, HF, HCl, H2O, H2S, NH3, and PH3. Of the [XH2]̇ + ion complexes, [Ne⋅⋅⋅H2]̇ +, [Ar⋅⋅⋅H2]̇ +, [Kr⋅⋅⋅H2]̇ +, and [HFH⋅⋅⋅H]̇ + lie in wells of significant depth and should be experimentally observable. The energetics of ion–molecule reactions associated with the [XH2]̇ + systems have been examined in detail. The reactions include proton- and hydrogen-transfer reactions and hydrogen-exchange reactions. Pathways and transition structures for scrambling of hydrogen atoms within the [XH2]̇ + complexes, some of which are relevant to the exchange reactions, have also been determined." @default.
- W2073100963 created "2016-06-24" @default.
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- W2073100963 date "1992-07-15" @default.
- W2073100963 modified "2023-10-17" @default.
- W2073100963 title "Potential energy surfaces describing ion complexes containing molecular hydrogen" @default.
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- W2073100963 doi "https://doi.org/10.1063/1.463246" @default.
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