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Volumn 122, Issue 6, 2005, Pages

Improved modification for the density-functional theory calculation of thermodynamic properties for C-H-O composite compounds

Author keywords

[No Author keywords available]

Indexed keywords

ALKOXIDES; ATOMIZATION ENERGIES; HYBRID DENSITY-FUNCTIONAL THEORY; THREE-PARAMETRIC MODIFICATION EQUATION;

EID: 22944472376     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1847632     Document Type: Article
Times cited : (8)

References (23)
  • 1
    • 0012154673 scopus 로고    scopus 로고
    • L. A. Curtiss, K. Raghavachari, P. C. Redfern, V. Rassolov, and J. A. Pople, J. Chem. Phys. 109, 7764 (1998).
    • (1998) J. Chem. Phys. , vol.109 , pp. 7764
    • Curtiss, L.A.1
  • 3
    • 0001213712 scopus 로고    scopus 로고
    • L. A. Curtiss, K. Raghavachari, P. C. Redfern, and J. A. Pople, J. Chem. Phys. 112, 7374 (2000).
    • (2000) J. Chem. Phys. , vol.112 , pp. 7374
    • Curtiss, L.A.1
  • 4
    • 0033706383 scopus 로고    scopus 로고
    • P. C. Redfern, P. Zapol, L. A. Curtiss, and K. Raghavachari, J. Phys. Chem. A 104, 5850 (2000).
    • (2000) J. Phys. Chem. A , vol.104 , pp. 5850
    • Redfern, P.C.1
  • 5
    • 0035147937 scopus 로고    scopus 로고
    • L. A. Curtiss, P. C. Redfern, K. Raghavachari, and J. A. Pople, J. Chem. Phys. 114, 108 (2001).
    • (2001) J. Chem. Phys. , vol.114 , pp. 108
    • Curtiss, L.A.1
  • 6
    • 0037182989 scopus 로고    scopus 로고
    • L. A. Curtiss, P. C. Redfern, K. Raghavachari, and J. A. Pople, Chem. Phys. Lett. 359, 390 (2002).
    • (2002) Chem. Phys. Lett. , vol.359 , pp. 390
    • Curtiss, L.A.1
  • 7
    • 0034510361 scopus 로고    scopus 로고
    • J. Ciosiowski, M. Schimeczek, G. Liu, and V. Stoyanov, J. Chem. Phys. 113, 9377 (2000).
    • (2000) J. Chem. Phys. , vol.113 , pp. 9377
    • Ciosiowski, J.1
  • 13
    • 0000097470 scopus 로고
    • M. Deleuze, J. Delhalle, B. T. Pickup, and J. L. Calais, Phys. Rev. B 46, 15668 (1992).
    • (1992) Phys. Rev. B , vol.46 , pp. 15668
    • Deleuze, M.1
  • 14
    • 4344605114 scopus 로고    scopus 로고
    • M. H. Liu, C. Chen, C. W. Liu, and Y. S. Hong, J. Phys. Chem. A 108, 6784 (2004).
    • (2004) J. Phys. Chem. A , vol.108 , pp. 6784
    • Liu, M.H.1
  • 17
    • 0345491105 scopus 로고
    • C. Lee, W. T. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988).
    • (1988) Phys. Rev. B , vol.37 , pp. 785
    • Lee, C.1
  • 21


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.