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• W2114228704 abstract "The gas-phase heats of formation of a series of chlorobenzenes, fluorobenzenes and chlorofluorobenzenes were calculated by employing the density functional theory and ab initio calculations. Compared with previous theoretical and experimental values, the heats of formation calculated from isodesmic reactions lead to reliable results. The results show that there is a linear relation between the heat of formation and the number of F or Cl atoms. Furthermore, the heats of formation of a number of fluorobenzenes and chlorofluorobenzenes were predicted using similar methods." @default.
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• W2114228704 date "2011-11-01" @default.
• W2114228704 modified "2023-09-25" @default.
• W2114228704 title "Theoretical studies on heats of formation of chlorinated and fluorinated benzene derivatives" @default.
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• W2114228704 doi "https://doi.org/10.1080/08927022.2011.582110" @default.
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