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Volumn 118, Issue 23, 2003, Pages 10631-10642

The standard enthalpy of formation of CH2

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIZATION; BENCHMARKING; CHEMICAL BONDS; COMPUTER SIMULATION; DISSOCIATION; ELECTRON ENERGY LEVELS; ENTHALPY; EXTRAPOLATION; MATHEMATICAL MODELS; NUMERICAL ANALYSIS; QUANTUM THEORY; RELATIVITY;

EID: 0037528198     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1573180     Document Type: Article
Times cited : (86)

References (119)
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    • note
    • Computational chemistry comparison and benchmark database, http://srdata.nist.gov/cccbdb/
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    • edited by P. v. R. Schleyer, N. L. Allinger, T. Clark, J. Gaisteiger, P. A. Kollmann, H. F. Schaefer III, and P. R. Schreiner (Wiley, Chichester)
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    • (1998) The Encyclopedia for Computational Chemistry , vol.1 , pp. 581-591
    • Partridge, H.1
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    • 0037524606 scopus 로고    scopus 로고
    • note
    • The (aug)-cc-p(C) VXZ basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 1.0, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory, which is part of the Pacific Northwest Laboratory, P.O. Box 999, Richland, Washington 99352, USA and funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multiprogram laboratory operated by Battelle Memorial Institute for the U.S. Department of Energy under Contract No. DE-AC06-76RLO 1830.
  • 82
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    • The package also contains modified versions of the MOLECULE Gaussian integral problem of J. Almlöf and P. R. Taylor, the ABACUS integral derivative program written by T. U. Helgaker, H. J. Aa. Jensen, P. Jørgensen, and P. R. Taylor, and the PROPS property evaluation integral code of P. R. Taylor
    • J. F. Stanton, J. Gauss, J. D. Watts et al., ACES II, The package also contains modified versions of the MOLECULE Gaussian integral problem of J. Almlöf and P. R. Taylor, the ABACUS integral derivative program written by T. U. Helgaker, H. J. Aa. Jensen, P. Jørgensen, and P. R. Taylor, and the PROPS property evaluation integral code of P. R. Taylor.
    • ACES II
    • Stanton, J.F.1    Gauss, J.2    Watts, J.D.3
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    • PSI 3.0; (PSITECH Inc., Watkinsville, Georgia)
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    • (1999)
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    • 0038538581 scopus 로고    scopus 로고
    • DIR CCR12-95 is an electronic structure program written by J. Noga and W. Klopper.
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    • 0038199949 scopus 로고    scopus 로고
    • note
    • 2. A direct link to this document may be found in the online article's HTML reference section. The document may also be reached via the EPAPS homepage (http://www.aip.org/pubservs/epaps.html) or from ftp.aip.org in the directory /epaps/. See the EPAPS homepage for more information.
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    • 0003024761 scopus 로고    scopus 로고
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    • A. G. Császár, in The Encyclopedia for Computational Chemistry, edited by P. v. R. Schleyer, N. L. Allinger, T. Clark, J. Gaisteiger, P. A. Kollmann, H. F. Schaefer +III, and P. R. Schreiner (Wiley, Chichester, 1998), Vol. 1, pp. 13-30.
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    • note
    • W. D. Allen and co-workers, INTDER95 is a general program developed to perform various vibrational analyses and higher-order nonlinear transformations among force field representations.
  • 93
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    • edited by K. N. Rao and C. W. Metthews (Acedemic, New York)
    • I. M. Mills, in Molecular Spectroscopy: Modern Research, edited by K. N. Rao and C. W. Metthews (Acedemic, New York, 1972), Vol. I, pp. 115-140.
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    • (U.S. National Bureau of Standards Circular 467, Washington, D.C.)
    • C. E. Moore, Atomic Energy Levels (U.S. National Bureau of Standards Circular 467, Washington, D.C., 1949).
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.