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Figure 1
The results of the Mulliken analyses derived from plane-wave density-functional-theory calculations on the ambient- and high-pressure polymorphs of phenol. The numbers represent the nominal atomic charge in electrons and numbers given in parentheses are for the high-pressure phase.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 58| Part 6| November 2002| Pages 1018-1024
doi:10.1107/S0108768102018797
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