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Generalized thermodynamic Properties of Higher Hydrocarbon Vapors 1

✍ Scribed by Cope, J. Q.; Lewis, W. K.; Weber, H. C.

Book ID
127002444
Publisher
American Chemical Society
Year
1931
Weight
752 KB
Volume
23
Category
Article
ISSN
0019-7866

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Modified calculations of hydrocarbon the
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✍ Min Hsien Liu; Cheng Chen πŸ“‚ Article πŸ“… 2006 πŸ› John Wiley and Sons 🌐 English βš– 92 KB

## Abstract A test set of 65 hydrocarbons was examined to elucidate theoretically their thermodynamic properties by performing the density‐functional theory (DFT) and __ab initio__ calculations. All the calculated data were modified using a three‐parameter calibration equation and the least‐squares