A computational study of some dioxin derivatives using MMP2 force field method

V. Vikram Reddy, Donald G. Patterson, James Grainger, J. Phillip Bowen

Research output: Contribution to journalArticle

3 Scopus citations

Abstract

MMP2, a computational force field method was employed to derive molecular geometries of some polychlorinated dioxins. A preliminary report of structural features and a correlation chart of dihedral angles against IR data are presented.

Original languageEnglish (US)
Pages (from-to)1005-1008
Number of pages4
JournalChemosphere
Volume18
Issue number1-6
DOIs
Publication statusPublished - 1989

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All Science Journal Classification (ASJC) codes

  • Environmental Engineering
  • Environmental Chemistry
  • Chemistry(all)
  • Pollution
  • Health, Toxicology and Mutagenesis

Cite this

Reddy, V. V., Patterson, D. G., Grainger, J., & Bowen, J. P. (1989). A computational study of some dioxin derivatives using MMP2 force field method. Chemosphere, 18(1-6), 1005-1008. https://doi.org/10.1016/0045-6535(89)90228-2