Discovering connections between terahertz vibrations and elasticity underpinning the collective dynamics of the HKUST-1 metal–organic framework
作者： Matthew R. Ryder , Bartolomeo Civalleri , Gianfelice Cinque , Jin-Chong Tan
DOI: 10.1039/C5CE02347E
关键词:
摘要: … of the lattice dynamics of HKUST-1, we calculated the theoretical vibrational spectra using DFT… units, such as the rotor dynamics identified here regarding the paddle-wheel of HKUST-1. …
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