Enthalpies of Formation of Dibenzo-p-dioxin and Polychlorinated Dibenzo-p-dioxins Calculated by Density Functional Theory
- 1 April 2003
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 107 (16), 2848-2854
- https://doi.org/10.1021/jp026973y
Abstract
No abstract availableThis publication has 23 references indexed in Scilit:
- Structures and Enthalpies of Formation in the Gas Phase of the Most Toxic Polychlorinated Dibenzo-p-dioxins. A DFT StudyThe Journal of Physical Chemistry A, 2002
- Experimental determination of the enthalpy of formation of dibenzo- p-dioxinThe Journal of Chemical Thermodynamics, 2002
- Prediction for thermodynamic function of dioxins for gas phase using semi-empirical molecular orbital method with PM3 HamiltonianChemosphere, 2000
- Thermodynamic Properties of Dibenzo-p-dioxin, Dibenzofuran, and Their Polychlorinated Derivatives in the Gaseous and Condensed Phases. 1. Thermodynamic Properties of Gaseous CompoundsJournal of Chemical & Engineering Data, 1999
- The standard molar enthalpy of formation of 2,3-dichlorodibenzo-p-dioxinThe Journal of Chemical Thermodynamics, 1998
- The standard molar enthalpy of formation of 2-chlorodibenzo-p-dioxinThe Journal of Chemical Thermodynamics, 1996
- Enthalpies of formation and entropies of chlorinated dibenzo-p-dioxins and dibenzofurans; selected data for computer-based studiesThermochimica Acta, 1995
- An evaluation of the heat of formation of chlorinated dioxins and its application to isomer abundance predictionsChemosphere, 1994
- Calculated physical properties of polychlorinated dibenzo-p-dioxins and dibenzofuransChemosphere, 1988
- Procedure for estimating the heats of formation of aromatic compounds: chlorinated benzenes, phenols and dioxinsThermochimica Acta, 1982