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Volumn 105, Issue 1, 2001, Pages 227-228

On comparison of experimental thermochemical data with G3 theory

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIZATION ENERGY; ENTHALPY OF FORMATION; HIGH LEVEL CORRELATION;

EID: 0035128360     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0026585     Document Type: Article
Times cited : (32)

References (22)
  • 10
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    • note
    • o values because its HLC parameters have been derived to give the best agreement with experiment for enthalpies of formation. The HLC takes into account not only deficiencies in the total energies, but also deficiencies in other quantities such as zero-point energies.
  • 12
    • 85037296512 scopus 로고    scopus 로고
    • (11) Kedziora, G. S.; Pople, J. A.; Rassolov, V.; Ratner, M. A.; Redfern, P. C.; Curtiss, L. A., submitted.
    • , vol.11
  • 15
    • 85037296546 scopus 로고    scopus 로고
    • See ref 2 for details on the procedure used to calculate enthalpies of formation of molecules
    • See ref 2 for details on the procedure used to calculate enthalpies of formation of molecules.
  • 16
    • 85037318522 scopus 로고    scopus 로고
    • 5 have also revised some of the experimental values with slightly different values. This has little overall effect on the results
    • 5 have also revised some of the experimental values with slightly different values. This has little overall effect on the results.
  • 20
    • 84964933682 scopus 로고    scopus 로고
    • M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P. M. W. Gill, B. G. Johnson, W. Chen, M. W. Wong, J. L. Andres, M. Head-Gordon, E. S. Replogle, and J. A. Pople, Gaussian, Inc., Pittsburgh, PA
    • Gaussian 98 (Revisions A.3); M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P. M. W. Gill, B. G. Johnson, W. Chen, M. W. Wong, J. L. Andres, M. Head-Gordon, E. S. Replogle, and J. A. Pople, Gaussian, Inc., Pittsburgh, PA, 1998.
    • (1998) Gaussian 98 (Revisions A.3)
  • 22
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    • Lipkowitz, K. B., Boyd, D. B., Eds.; Wiley-VCH: New York
    • Lipkowitz, K. B., Boyd, D. B., Eds.; Wiley-VCH: New York, 2000; Vol. 15, pp 147-202.
    • (2000) , vol.15 , pp. 147-202


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.