Generation of unknown crystal phases for aromatic hydrocarbons by packing energy calculations

J. Bernstein, J. A.R.P. Sarma, A. Gavezzotti

Research output: Contribution to journalArticlepeer-review

50 Scopus citations

Abstract

Using geometrical inferences from known crystal structures of aromatic hydrocarbons, some novel orthorhombic crystal structures are proposed for naphthalene, anthracene and biphenyl. Their packing energies and relative stabilities are discussed.

Original languageEnglish
Pages (from-to)361-368
Number of pages8
JournalChemical Physics Letters
Volume174
Issue number3-4
DOIs
StatePublished - 9 Nov 1990

ASJC Scopus subject areas

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry

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