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- W2023094095 abstract "Abstract The recent synthesis of a ionic compound containing N 5 + has suggested the possible existence of pure nitrogen salts, like N 5 + –N 3 − or similar compounds. As a preliminary step towards the investigation of this possibility, an ab initio study of the charged systems N 5 + , N 3 − , and N 5 − is performed, and the stability of the ionic clusters N 5 + N 3 − , N 5 + N 5 − and (N 5 + N 5 − ) 2 is investigated. The ionic cluster N 5 + N 5 − has a local minimum in a C 2 v geometry, and is stable with respect to charge transfer. A similar results is obtained for (N 5 + N 5 − ) 2 in C 2 h symmetry, while no true minimum was found for the N 5 + N 3 − form." @default.
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- W2023094095 date "2003-02-01" @default.
- W2023094095 modified "2023-10-03" @default.
- W2023094095 title "Ionic nitrogen clusters" @default.
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- W2023094095 doi "https://doi.org/10.1016/s0166-1280(02)00532-8" @default.
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