Active Thermochemical Tables: Thermochemistry for the 21st century

Journal of Physics: Conference Series

Volumn 16, Issue 1, 2005, Pages 561-570

  Ruscic, Branko ^a   Pinzon, Reinhardt E ^a   Von Laszewski, Gregor ^a   Kodeboyina, Deepti ^a   Burcat, Alexander ^a,b   Leahy, David ^c   Montoy, David ^d   Wagner, Albert F ^a  

^a ARGONNE NATIONAL LABORATORY   (United States)

^b TECHNION ISRAEL INSTITUTE OF TECHNOLOGY   (Israel)

^c SANDIA NATIONAL LABORATORIES   (United States)

^d LOS ALAMOS NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 24644499597     PISSN: 17426588     EISSN: 17426596     Source Type: Conference Proceeding    
DOI: 10.1088/1742-6596/16/1/078     Document Type: Conference Paper

References (36)

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7. Kerr A J 2004 Strengths of Chemical Bonds CRC Handbook of Chemistry and Physics 85th edn ed D Lide (CRC Press, Boca Raton, Sec. 9) p 52
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10. McBride B J, Zehe M J and Gordon S 2002 NASA Glenn Coefficients for Calculating Thermodynamic Properties of Individual Species NASA Technical Paper 2002-211556 (NASA Glenn Research Center, Cleveland, OH)
11. McBride B J, Zehe M J and Gordon S Properties From Coefficients (PFC) http://cea.grc.nasa.gov/index.html
12. Burcat A and Ruscic B 2005 Third Millennium Ideal Gas and Condensed Phase Thermochemical Database for Combustion with updates from Active Thermochemical Tables, Technion and Argonne National Laboratory (in press), pre-release available at http://ftp.technion.ac.il/pub/supported/aetdd/thermodynamics (mirrored at http://garfield.chem.elte.hu/Burcat/burcat.html )
13. Burcat A 2001 Third Millennium Ideal Gas and Condensed Phase Thermochemical Database for Combustion Technion Aerospace Engineering (TAE) Report #867 Technion, Haifa
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15. Wagman D D, Evans W H, Parker V B, et al 1965-1981 Selected Values of Chemical Thermodynamic Properties, Parts 1-8 NBS Technical Note 270-1 through 270-8 National Bureau of Standards, Washington DC
16. Wagman D D, Evans W H, Parker V B, Schumm R H, Halow I, Bailey S M, Churney K L and R L Nuttall 1982 The NBS Tables of Chemical Thermodynamic Properties J. Phys. Chem. Ref. Data 11 (Suppl. 2)
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18. Guest M F, Pedley J B and Horn H J 1969 Thermodynamics 1 345
19. Garvin D, Parker V B, Wagman D D and Evans W H 1977 Proc. Fifth Biennal International CODATA Conf. ed B Dreyfus (Pergamon, Oxford) p 567
20. Garvin D, Parker V B and White H J Jr 1987 CODATA Thermodynamic Tables: Selections for for Some Compunds of Calcium and Related Mixtures (Hemisphere, Washington)
21. Pedley J B, Naylor R D, Kirby S P 1986 Thermochemical Data of Organic Compunds 2nd edn (Chapman and Hall, London)
22. Ruscic B, Michael J V, Redfern P C and Curtiss L A 1998 J. Phys. Chem. A 102 10889
23. Ruscic B, Litorja M, Asher R L 1999 J. Phys. Chem. A 103 8625
24. Ruscic B, Wagner A F, Harding L B, Asher R L, Feller D, Dixon D A, Peterson K A, Song Y, Qian X, Ng C Y, Liu J, Chen W and Schwenke D W 2002 J. Phys. Chem. A 106 2727
25. Ruscic B, Feller D, Dixon D A, Peterson K A, Harding L B, Asher R L and Wagner A F 2001 J. Phys. Chem. A 105 1
26. Rossini F D 1931 J. Res. NBS 6 1
27. von Laszewski G, Ruscic B, Wagstrom P, Krishnan S, Amin K, Nijsure S, Bittner S, Pinzon R, Hewson J C, Morton M L, Minkoff M and Wagner A F 2003 A Grid Service-Based Active Thermochemical Table Framework Lecture Notes Comput. Sci. 2536 (Springer, Berlin)
28. von Laszewski G, Ruscic B, Amin K, Wagstrom P, Krishnan S and Nijsure S 2003 Int. J. High Perform. Comput. Applicat. 17 431
29. Myers J D, Allison T C, Bittner S, Didier B, Frenklach M, Green W H, Jr, Ho Y L, Hewson J, Koegler W, Lansing C, Leahy D, Lee M, McCoy R, Minkoff M, Nijsure S, von Laszewski G, Montoya D, Oluwole L, Pancerella C, Pinzon R, Pitz W, Rahn L A, Ruscic B, Schuchardt K, Stephan K, Wagner A L, Windus T and Yang C 2005 Cluster Computing 8 in press, see also http://cmcs.org
30. Herbon J T, Hanson R K, Golden D M and Bowman C T 2002 Proc. Combust. Inst. 29 1201
31. Tang X, Hou Y, Ng C Y and Ruscic B 2005 J. Chem. Phys. (in press)
32. Ruscic B, Pinzon R E, Tang X, Hou Y and Ng C Y manuscript in preparation
33. Ruscic B, Pinzon R E, Csaszar A G, Stanton J F and Kallay M manuscript in preparation
34. Ruscic B, Boggs J E, Burcat A, Csaszar A G, Demaison J, Janoschek R, Martin J M L, Morton M L, Rossi M J, Stanton J F, Szalay P G, Westmoreland P R, Zabel F and Berces T 2005 J. Phys. Chem. Ref. Data 34 573
35. See also http://www.iupac.org/projects/2003/2003-024-1-100.html and the predecessor IUPAC project 2000-013-1-100 at http://www.iupac.org/projects/2000/ 2000-013-1-100.html.
36. IUPAC Task Group on Standard Potentials of Radicals Chair: Stanbury D M, see http://www.iupac.org/projects/2001/2001-015-1-100.html.