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- W2080767577 abstract "A theoretical study of the AlC3 species has been carried out. There are three species that lie quite close in energy: a rhombic four-membered ring, 1(2A1), a T-shape structure, 2(2B2), and a linear species, 3(2Π). The linear isomer is predicted to be lower in energy, but 1(2A1) lies only about 1–2 kcal mol−1 higher. In any case, it seems that both isomers could be accesible to experimental detection. Our conclusion is in contrast with a previous theoretical study on this system that predicted a quartet state as the global minimum." @default.
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- W2080767577 date "2000-04-01" @default.
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- W2080767577 title "Theoretical study of AlC3: linear or cyclic ground state?" @default.
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- W2080767577 doi "https://doi.org/10.1016/s0009-2614(00)00265-7" @default.
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