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• W2013496304 abstract "A method is described for calculating the equilibrium structure of molecular crystals under hydrostatic pressure and is applied to the case of orthorhombic sulphur (α-sulphur) composed of S8 molecules. The method is based on minimizing the free energy of the molecular system after appropriate presentation in terms of intermolecular and intramolecular interactions. For these interactions an atom-atom 6-exp potential function and a harmonic intramolecular force field are applied in the computations for α-sulphur, and the results are compared with available experimental data." @default.
• W2013496304 created "2016-06-24" @default.
• W2013496304 creator A5072599938 @default.
• W2013496304 date "1980-01-01" @default.
• W2013496304 modified "2023-09-25" @default.
• W2013496304 title "Lattice Statics with Deformable Molecules: α-Sulphur Under Hydrostatic Pressure" @default.
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• W2013496304 doi "https://doi.org/10.1088/0031-8949/21/2/017" @default.
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