Evolution of the Electronic Structure and Elastic Properties of β-glycine under the Influence of External Hydrostatic Pressure: Quantum Chemical Modeling
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Abstract
The effect of hydrostatic compression on the elastic and electronic properties of β-glycine crystals has been studied by quantum-chemical modeling. A relationship has been established between changes in the microscopic quantum pressure, macroscopic compressibility, and also the geometric and energy characteristics of hydrogen bonds that form the structure of β-glycine crystals before and after the transition to the high-pressure β’-phase.
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