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Volumn 114, Issue 50, 2010, Pages 13213-13221

High-accuracy theoretical study on the thermochemistry of several formaldehyde derivatives

Author keywords

[No Author keywords available]

Indexed keywords

COMBUSTION CHEMISTRY; HEATS OF FORMATION; HIGH-ACCURACY; STANDARD MOLAR ENTROPY; THEORETICAL MODELS; THEORETICAL STUDY; THERMOCHEMICAL DATA; THERMOCHEMICAL VALUES;

EID: 78650376406     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp1085203     Document Type: Article
Times cited : (21)

References (113)
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    • [Online]; ANL-05/20 and TAE 960; Aerospace Engineering, Technion-IIT: Haifa, Israel; Chemistry Division, Argonne National Laboratory: Argonne, IL, September. mirrored at http://garfield.chem.elte.hu/Burcat/burcat.html (accessed March 2010).
    • Burcat, A.; Ruscic, B. Third Millennium Ideal Gas and Condensed Phase Thermochemical Database for Combustion with Updates from Active Thermochemical Tables [Online]; ANL-05/20 and TAE 960; Aerospace Engineering, Technion-IIT: Haifa, Israel; Chemistry Division, Argonne National Laboratory: Argonne, IL, September 2005. ftp://ftp.technion.ac.il/pub/supported/aetdd/thermodynamics mirrored at http://garfield.chem.elte.hu/Burcat/burcat.html (accessed March 2010).
    • (2005) Third Millennium Ideal Gas and Condensed Phase Thermochemical Database for Combustion with Updates from Active Thermochemical Tables
    • Burcat, A.1    Ruscic, B.2
  • 45
    • 45549087656 scopus 로고    scopus 로고
    • (NIST ASD Team)., version 3.1.5 [Online]; National Institute of Standards and Technology: Gaithersburg, MD,. (accessed May 2010).
    • Ralchenko, Y.; Kramida, A. E.; Reader, J. (NIST ASD Team). NIST Atomic Spectra Database, version 3.1.5 [Online]; National Institute of Standards and Technology: Gaithersburg, MD, 2008. http://physics.nist.gov/asd3 (accessed May 2010).
    • (2008) NIST Atomic Spectra Database
    • Ralchenko, Y.1    Kramida, A.E.2    Reader, J.3
  • 49
    • 78650337543 scopus 로고    scopus 로고
    • MRCC, a string-based quantum chemical program suite written by M. Kallay. See also ref 50 as well as.
    • MRCC, a string-based quantum chemical program suite written by M. Kallay. See also ref 50 as well as http://www.mrcc.hu/.
  • 51
    • 78650384272 scopus 로고    scopus 로고
    • CFOUR, a quantum chemical program package written by J. F. Stanton, J. Gauss, M. E. Harding, and P. G. Szalay, with contributions from A. A. Auer, R. J. Bartlett, U. Benedikt, C. Berger, D. E. Bernholdt, Y. J. Bomble, O. Christiansen, M. Heckert, O. Heun, C. Huber, T.-C. Jagau, D. Jonsson, J. Jusélius, K. Klein, W. J. Lauderdale, D. A. Matthews, T. Metzroth, D. P. O'Neill, D. R. Price, E. Prochnow, K. Ruud, F. Schiffmann, S. Stopkowicz, J. Vázquez, F. Wang, and J. D. Watts, the integral packages MOLECULE (J. Almlöf and P. R. Taylor), PROPS (P. R. Taylor), and ABACUS (T. Helgaker, H. J. Aa. Jensen, P. Jørgensen, and J. Olsen), and the ECP routines by A. V. Mitin and C. van Wüllen. For the current version, see.
    • CFOUR, a quantum chemical program package written by J. F. Stanton, J. Gauss, M. E. Harding, and P. G. Szalay, with contributions from A. A. Auer, R. J. Bartlett, U. Benedikt, C. Berger, D. E. Bernholdt, Y. J. Bomble, O. Christiansen, M. Heckert, O. Heun, C. Huber, T.-C. Jagau, D. Jonsson, J. Jusélius, K. Klein, W. J. Lauderdale, D. A. Matthews, T. Metzroth, D. P. O'Neill, D. R. Price, E. Prochnow, K. Ruud, F. Schiffmann, S. Stopkowicz, J. Vázquez, F. Wang, and J. D. Watts, the integral packages MOLECULE (J. Almlöf and P. R. Taylor), PROPS (P. R. Taylor), and ABACUS (T. Helgaker, H. J. Aa. Jensen, P. Jørgensen, and J. Olsen), and the ECP routines by A. V. Mitin and C. van Wüllen. For the current version, see http://www.cfour.de.
  • 56
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    • Methane-Oxygen-Fluorine Flames Spectroscopic And Calorimetric Studies; WADTC TR 58-541; Carpenter Litho & Prtg. Co.: Springfield, OH, October.
    • Armstrong, G. T.; Coyle, C. F.; Krieger, L. A. Methane-Oxygen-Fluorine Flames Spectroscopic And Calorimetric Studies; WADTC TR 58-541; Carpenter Litho & Prtg. Co.: Springfield, OH, October 1958.
    • (1958)
    • Armstrong, G.T.1    Coyle, C.F.2    Krieger, L.A.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.