Ab initio calculation of the structure of a complex LiBeH3 molecule |
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| Authors: | A.I. Boldyrev O.P. Charkin N.G. Rambidi V.I. Avdeev |
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| Affiliation: | Institute of New Chemical Problems of the USSR Academy of Sciences, Moscow Region, Chernogolovka, 142432, USSR;Institute of Metrological Service of the USSR State Committee for Standards, Moscow, USSR;Institute of Catalysis of the USSR Academy of Sciences, Novosibirsk, USSR |
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| Abstract: | Ab initio calculations have been made for the areas of the potential surface of the LibeH3 molecule in the vicinity of configurations where the Li+ cation is located over the edge, the vertex, and the plane of the BeH?3 anion. The specific features of the polytopic bond in complex LiMHk+1 molecules are discussed. |
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