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

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

Research output: Contribution to journalArticle

3 Citations (Scopus)

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
StatePublished - Jan 1 1989

Fingerprint

Dioxins
field method
Dihedral angle
dioxin
Derivatives
geometry
Geometry

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. J., 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
Reddy, V. Vikram ; Patterson, Donald George Jr ; Grainger, James ; Bowen, J. Phillip. / A computational study of some dioxin derivatives using MMP2 force field method. In: Chemosphere. 1989 ; Vol. 18, No. 1-6. pp. 1005-1008.
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Reddy, VV, Patterson, DGJ, Grainger, J & Bowen, JP 1989, 'A computational study of some dioxin derivatives using MMP2 force field method', Chemosphere, vol. 18, no. 1-6, pp. 1005-1008. https://doi.org/10.1016/0045-6535(89)90228-2

A computational study of some dioxin derivatives using MMP2 force field method. / Reddy, V. Vikram; Patterson, Donald George Jr; Grainger, James; Bowen, J. Phillip.

In: Chemosphere, Vol. 18, No. 1-6, 01.01.1989, p. 1005-1008.

Research output: Contribution to journalArticle

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AU - Bowen, J. Phillip

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