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- W1966842782 abstract "Ab initio SCF calculations have been performed for several structures of the benzene dimer. The interaction energies obtained are corrected for basis set superposition error and dispersion energy. In agreement with previous ab initio calculations the T arrangement of the dimer has been found to be favored over the sandwich structure. However, distortion from the T-shape structure(wagging of one ring up to about 30°) is associated only with a marginal change in energy. Possibly it may even lead to the optimum structure." @default.
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- W1966842782 date "1988-10-01" @default.
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- W1966842782 title "Ab initio calculations on the structure of the benzene dimer" @default.
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- W1966842782 doi "https://doi.org/10.1016/0301-0104(88)87072-1" @default.
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