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Volumn 108, Issue 24, 1998, Pages 10096-10115

HF dimer: Empirically refined analytical potential energy and dipole hypersurfaces from ab initio calculations

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Indexed keywords


EID: 0000347765     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.476470     Document Type: Article
Times cited : (162)

References (109)
  • 5
    • 0001416980 scopus 로고    scopus 로고
    • h value for SC-2.9+HF3BG is 41.8 instead of 41.1 kJ/mol;
    • h value for SC-2.9+HF3BG is 41.8 instead of 41.1 kJ/mol; the symmetrization model discussed in Sect. 5.5 has been discussed in detail in Y-T. Chang and W. H. Miller, J. Phys. Chem. 94, 5884 (1990), and refs. cited therein.
    • (1997) Conceptual Perspectives in Quantum Chemistry , vol.3 , pp. 415-463
    • Quack, M.1    Suhm, M.A.2
  • 6
    • 0542375277 scopus 로고
    • and refs. cited therein
    • h value for SC-2.9+HF3BG is 41.8 instead of 41.1 kJ/mol; the symmetrization model discussed in Sect. 5.5 has been discussed in detail in Y-T. Chang and W. H. Miller, J. Phys. Chem. 94, 5884 (1990), and refs. cited therein.
    • (1990) J. Phys. Chem. , vol.94 , pp. 5884
    • Chang, Y.-T.1    Miller, W.H.2
  • 27
    • 85034286655 scopus 로고    scopus 로고
    • unpublished
    • R. Signorell, Y. He, H. B. Müller, M. Quack, and M. A. Suhm, Proceedings of the 10th International Symposium on Atomic, Molecular, Cluster, Ion, and Surface Physics, edited by J. P. Maier and M. Quack (Vdf, Zürich, 1996), pp. 256-259; Y. He, H. B. Müller, M. Quack, and M. Suhm (unpublished).
    • He, Y.1    Müller, H.B.2    Quack, M.3    Suhm, M.4
  • 53
    • 85034283001 scopus 로고    scopus 로고
    • note
    • See AIP Document No. PAPS JCPSA6-108-303820-88 for 88 pages including a table (47 pages) of all 3284 ab initio geometries, SCF dipole moment vectors, counterpoise corrected T1Q MP2-R12 pair energies, counterpoise corrections and deviations form the analytical fit and a hard-copy of the FORTRAN source codes (40 pages) of the analytical representations of the potentials and dipole functions of the present work as well as earlier potentials (Refs. 8,28,29) for comparison. Order by PAPS number and journal reference from American Institute of Physics, Physics Auxiliary Publication Service, Carolyn Gehlbach, 500 Sunnyside Boulevard, Woodbury, NY 11797-2999. Fax: 516-576-2223, e-mail: paps@aip.org. The price is $1.50 for each microfiche (98 pages) or $5.00 for photocopies of up to 30 pages, and $0.15 for each additional page over 30 pages. Airmail additional. Make checks payable to the American Institute of Physics.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.