Affiliation:
1. Novosibirsk State University; Boreskov Institute of Catalysis SB RAS
2. Mendeleev University of Chemical Technology of Russia
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.
Publisher
Novosibirsk State University (NSU)