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机译:Structural properties of sH hydrate: a DFT study of anisotropy and equation of state
McGill Univ;
Density functional theory; sH hydrate; compressional anisotropy; isothermal bulk modulus; hydrogen bond density; MECHANICAL-PROPERTIES; PHASE-EQUILIBRIUM; HYDROGEN STORAGE; GUEST SIZE; GAS; METHANE; WATER; STABILITY; COMPRESSIBILITY; SIMULATION;