Rotational dynamics of methyl groups in durene: A crystallographic, spectroscopic, and molecular mechanics investigation
Neutron powder diffraction measurements of perdeutero durene in the temperature range from 1.5 K to 290 K have been performed. The lowest temperature structure is the starting point for calculations of the methyl group tunneling and librational dynamics. Ab initio methods and atom-atom potentials ar...
| Main Authors: | , , , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
1999
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