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

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

doi:10.1016/0045-6535(89)90228-2

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

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

Forensic Science Program

Research output: Contribution to journal › Article › peer-review

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 language	English (US)
Pages (from-to)	1005-1008
Number of pages	4
Journal	Chemosphere
Volume	18
Issue number	1-6
DOIs	https://doi.org/10.1016/0045-6535(89)90228-2
State	Published - 1989

All Science Journal Classification (ASJC) codes

Environmental Engineering
Environmental Chemistry
General Chemistry
Pollution
Health, Toxicology and Mutagenesis

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10.1016/0045-6535(89)90228-2

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@article{62d1a6a2c77e4c6ca165db08141cfe8a,

title = "A computational study of some dioxin derivatives using MMP2 force field method",

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.",

author = "Reddy, \{V. Vikram\} and Patterson, \{Donald G.\} and James Grainger and Bowen, \{J. Phillip\}",

note = "Funding Information: This study was supported by funds from the Agency for Toxic Substances and Disease Registry,",

year = "1989",

doi = "10.1016/0045-6535(89)90228-2",

language = "English (US)",

volume = "18",

pages = "1005--1008",

journal = "Chemosphere",

issn = "0045-6535",

publisher = "Elsevier Ltd",

number = "1-6",

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T1 - A computational study of some dioxin derivatives using MMP2 force field method

AU - Reddy, V. Vikram

AU - Patterson, Donald G.

AU - Grainger, James

AU - Bowen, J. Phillip

N1 - Funding Information: This study was supported by funds from the Agency for Toxic Substances and Disease Registry,

PY - 1989

Y1 - 1989

N2 - 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.

AB - 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.

UR - https://www.scopus.com/pages/publications/0024308152

UR - https://www.scopus.com/pages/publications/0024308152#tab=citedBy

U2 - 10.1016/0045-6535(89)90228-2

DO - 10.1016/0045-6535(89)90228-2

M3 - Article

AN - SCOPUS:0024308152

SN - 0045-6535

VL - 18

SP - 1005

EP - 1008

JO - Chemosphere

JF - Chemosphere

IS - 1-6

ER -

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

Abstract

All Science Journal Classification (ASJC) codes

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