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Results of Keyword Search:
1 database found for ideal gas.
glass ball SRD 101 NIST Computational Chemistry Comparison and Benchmark Database (Web, free access)  Keywords for Database
The NIST Computational Chemistry Comparison and Benchmark Database is a collection of experimental and ab initio thermochemical properties for a selected set of molecules. The goals are to provide a benchmark set of molecules for the evaluation of ab initio computational methods and allow the comparison between different ab initio computational methods for the prediction of thermochemical properties.

The following Journal of Physical and Chemical Reference Data articles may also be of interest:
Adobe Acrobat Reader is required to view these articles. (32 articles(s) found)
glass ball Ab-Initio Calculations and Ideal Gas Thermodynamic Functions of Cyclopentadiene and Cyclopentadiene Derivatives
Miriam Karni, Izhack Oref, Alexander Burcat
JPCRD 20(4) pp. 665-683 (1991)
Full Text: PDF
glass ball An International Standard Equation of State for Difluoromethane (R-32) for Temperatures from the Triple Point at 136.34 K to 435 K and Pressures up to 70 MPa
Reiner Tillner-Roth, Akimichi Yokozeki
JPCRD 26(6) pp. 1273-1328 (1997)
Full Text: PDF
glass ball Benzene Thermophysical Properties from 279 to 900 K at Pressures to 1000 Bar
Robert D. Goodwin
JPCRD 17(4) pp. 1541-1636 (1988)
Full Text: PDF
glass ball Carbon Monoxide Thermophysical Properties from 68 to 1000 K at Pressures to 100 MPa
Robert D. Goodwin
JPCRD 14(4) pp. 849-932 (1985)
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glass ball Ideal Gas Thermodynamic Properties and Isomerization of n-Butane and Isobutane
S. S. Chen, R. C. Wilhoit, B. J. Zwolinski
JPCRD 4(4) pp. 859-869 (1975)
Full Text: PDF
glass ball Ideal Gas Thermodynamic Properties of CH3, CD3, CD4, C2D2, C2D4, C2D6, C2H6, CH3N2CH3, and CD3N2CD3
Krishna M. Pamidimukk, David Rogers, Gordon B. Skinner
JPCRD 11(1) pp. 83-99 (1982)
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glass ball Ideal Gas Thermodynamic Properties of CH4-(a+b+c+d) F a Cl b Br c I d Halomethanes
Shanti A. Kudchadker, Arvind P. Kudchadker
JPCRD 7(4) pp. 1285-1307 (1978)
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glass ball Ideal Gas Thermodynamic Properties of Eight Chloroand Fluoromethanes
A. S. Rodgers, J. Chao, R. C. Wilhoit, B. J. Zwolinski
JPCRD 3(1) pp. 117-140 (1974)
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glass ball Ideal Gas Thermodynamic Properties of Ethane and Propane
J. Chao, R. C. Wilhoit, B. J. Zwolinski
JPCRD 2(2) pp. 427-438 (1973)
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glass ball Ideal Gas Thermodynamic Properties of Ethylene and Propylene
Jing Chao, Bruno J. Zwolinski
JPCRD 4(1) pp. 251-261 (1975)
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glass ball Ideal Gas Thermodynamic Properties of Methanoic and Ethanoic Acids
Jing Chao, Bruno J. Zwolinski
JPCRD 7(1) pp. 363-377 (1978)
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glass ball Ideal Gas Thermodynamic Properties of Phenol and Creosols
S. A. Kudchadker, A. P. Kudchadker, R. C. Wilhoit, B. J. Zwolinski
JPCRD 7(2) pp. 417-423 (1978)
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glass ball Ideal Gas Thermodynamic Properties of Propanone and 2-Butanone
Jing Chao, Bruno J. Zwolinski
JPCRD 5(2) pp. 319-328 (1976)
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glass ball Ideal Gas Thermodynamic Properties of Selected Bromoethanes and Iodoethane
S. A. Kudchadker, A. P. Kudchadker
JPCRD 8(2) pp. 519-526 (1979)
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glass ball Ideal Gas Thermodynamic Properties of Six Chloroethanes
J. Chao, A. S. Rodgers, R. C. Wilhoit, B. J. Zwolinski
JPCRD 3(1) pp. 141-162 (1974)
Full Text: PDF
glass ball Ideal Gas Thermodynamic Properties of Six Chlorofluoromethanes
S. S. Chen, R. C. Wilhoit, B. J. Zwolinski
JPCRD 5(3) pp. 571-580 (1976)
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glass ball Ideal Gas Thermodynamic Properties of Six Fluoroethanes
S. S. Chen, A. S. Rodgers, J. Chao, R. C. Wilhoit, B. J. Zwolinski
JPCRD 4(2) pp. 441-456 (1975)
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glass ball Ideal Gas Thermodynamic Properties of Sulphur Heterocyclic Compounds
O. V. Dorofeeva, L. V. Gurvich
JPCRD 24(3) pp. 1351-1375 (1995)
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glass ball Ideal Gas Thermodynamic Properties of the Eight Bromo- and Iodomethanes
S. A. Kudchadker, A. P. Kudchadker
JPCRD 4(2) pp. 457-470 (1975)
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glass ball Methanol Thermodynamic Properties from 176 to 673 K at Pressures to 700 Bar
Robert D. Goodwin
JPCRD 16(4) pp. 799-892 (1987)
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glass ball Physical and Thermodynamis properties of Aliphatic Alcohols
R. C. Wilhoit, B. J. Zwolinski
JPCRD 2(Supplement 1) pp. 1-420 (1973)
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glass ball Revised and Updated Thermochemical Properties of the Gases Mercapto (HS), Disulfur Monoxide (S2O), Thiazyl (NS), and Thioxophosphino (PS)
Katharina Lodders
JPCRD 33(1) pp. 357-368 (2004)
Abstract
glass ball Standard Thermodynamic Functions of Gaseous Polyatomic Ions at 100-1000 K
Aharon Loewenschuss, Yitzhak Marcus
JPCRD 16(1) pp. 61-89 (1987)
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glass ball Thermodynamic and Thermophysical Properties of Organic Nitrogen Compounds. Part II
A. Das, M. Frenkel, N. A. M. Gadalla, S. Kudchadker, K. N. Marsh, A. S. Rodgers, R. C. Wilhoit
JPCRD 22(3) pp. 659-782 (1993)
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glass ball Thermodynamic and Thermophysical Properties of Organic Nitrogen Compounds. Part I. Methanamine, Ethanamine, 1 and 2-Propanamine, Benzenamine, 2-, 3-, and 4-Methylbenzenamine
J. Chao, N. A. M. Gadella, B. E. Gammon, K. N. Marsh, A. S. Rodgers, G. R. Somayajulu, R. C. Wilhoit
JPCRD 19(6) pp. 1547-1615 (1990)
Full Text: PDF
glass ball Thermodynamic Properites of Alkenes (Mono-Olefins Larger than C4)
W. V. Steele, R. D. Chirico
JPCRD 22(2) pp. 377-430 (1993)
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glass ball Thermodynamic Properties of Key Organic Oxygen Compounds in the Carbon Range C1 to C4. Part. 2. Ideal Gas Properties
Jing Chao, Kenneth R. Hall, Kenneth N. Marsh, Randolph C. Wilhoit
JPCRD 15(4) pp. 1369-1436 (1986)
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glass ball Thermodynamic Properties of Nitrogen Including Liquid and Vapor Phases from 63 K to 2000 K with Pressures to 10,000 Bar
Richard T. Jacobsen, Richard B. Stewart
JPCRD 2(4) pp. 757-922 (1973)
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glass ball Thermodynamic Properties of Normal and Deuterated Methanols
S. S. Chen, R. C. Wilhoit, B. J. Zwolinski
JPCRD 6(1) pp. 105-112 (1977)
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glass ball Thermodynamic Properties of Normal and Deuterated Naphthalenes
S. S. Chen, S. A. Kudchadker, R. C. Wilhoit
JPCRD 8(2) pp. 527-535 (1979)
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glass ball Thermodynamic Properties of Twenty-One Monocyclic Hydrocarbons
O. V. Dorofeeva, L. V. Gurvich, V. S. Jorish
JPCRD 15(2) pp. 437-464 (1986)
Full Text: PDF
glass ball Toluene Thermophysical Properties from 178 to 800 K at Pressures to 1000 Bar
Robert D. Goodwin
JPCRD 18(4) pp. 1565-1636 (1989)
Full Text: PDF


Last modified: November 6, 2008 (Created: November 9, 2001)
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