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Thermodynamic Properties of Light Hydrocarbons (Correspondence)

✍ Scribed by Holcomb, Dysart


Book ID
127290825
Publisher
American Chemical Society
Year
1944
Weight
118 KB
Volume
36
Category
Article
ISSN
0019-7866

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## 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