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Ab initio (RHF, MP2) and Density Functional Theory (DFT) methods have been used to examine six isomers of the N15 cluster with the 6-31+G* basis set. Different from the known odd-numbered anionic N7, N9, and N11 clusters, in which the open-chain structures are the most stable species, the most stable N15 isomer is structure 1 (C1), which may be considered as a complex between the fragments cyclic...
Ab initio (RHF, MP2) and Density Functional Theory (DFT) methods have been used to examine six isomers of the N 15− cluster with the 6−31+G* basis set. Different from the known odd-numbered anionic N 7− , N 9− , and N 11− clusters, in which the open-chain structures are the most stable species, the most stable N 15− isomer is structure 1 (CO, which may be considered as a complex between the...
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