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• W2073288032 abstract "Abstract Semi-empirical lattice energy calculations based on the atom-atom potential method have been used to test several models for crystalline biphenyl. Structures considered include planar molecules in space group P21/a, nonplanar molecules disordered about an inversion center in the same group, and an ordered structure in Pa. The failure of these models to produce satisfactory (2–3%) agreement between observed and calculated cell constants suggests either the presence of a complicated disorder or of a delicate balance between intra- and intermolecular energy terms which is not adequately represented in the calculations." @default.
• W2073288032 created "2016-06-24" @default.
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• W2073288032 date "1979-04-01" @default.
• W2073288032 modified "2023-09-26" @default.
• W2073288032 title "Semi-Empirical Lattice Energy Calculations of Crystalline Biphenyl" @default.
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• W2073288032 doi "https://doi.org/10.1080/00268947908071731" @default.
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