Analysis of Uncertainty in the Calculation of Ideal-Gas Thermodynamic Properties Using the One-Dimensional Hindered Rotor (1-DHR) Model-Reference-Cited by-同舟云学术

Analysis of Uncertainty in the Calculation of Ideal-Gas Thermodynamic Properties Using the One-Dimensional Hindered Rotor (1-DHR) Model

Published:2016-12-02 Issue:1 Volume:62 Page:445-455
ISSN:0021-9568
Container-title:Journal of Chemical & Engineering Data
language:en
Short-container-title:J. Chem. Eng. Data

Author:

Červinka Ctirad¹^ORCID,Fulem Michal¹,Štejfa Vojtěch¹,Růžička Květoslav¹

Affiliation:

1. Department of Physical Chemistry, University of Chemistry and Technology, Prague, Technická 5, CZ-166 28 Prague 6, Czech Republic

Funder

Ministerstvo Školství, Mládeže a Telovýchovy

Grantová Agentura Ceské Republiky

Publisher

American Chemical Society (ACS)

Subject

General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jced.6b00757

Reference108 articles.

1. Simultaneous Treatment of Vapor Pressures and Related Thermal Data Between the Triple and Normal Boiling Temperatures for n‐Alkanes C5–C20

2. Simple and controlled extrapolation of vapor pressures toward the triple point

3. Frenkel, M. L.; Kabo, G. J.; Marsh, K. N.; Roganov, G. N.; Wilhoit, R. C.Thermodynamics of Organic Compounds in the Gas State;CRC Press:College Station, 1994; Vol.1, p2.

4. Computational Thermochemistry

5. Evaluation of Accuracy of Ideal-Gas Heat Capacity and Entropy Calculations by Density Functional Theory (DFT) for Rigid Molecules

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