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Volumn 106, Issue 21, 1997, Pages 8733-8745

Calculation and fitting of potential energy and dipole moment surfaces for the water molecule: Fully ab initio determination of vibrational transition energies and band intensities

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EID: 0000341432     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.473959     Document Type: Article
Times cited : (20)

References (52)
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    • (1990) SIAM J. Sci. Stat. Comput. , vol.11 , pp. 503
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    • Bartlett, R.J.1    Shavitt, I.2    Purvis III, G.D.3
  • 26
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    • L. B. Harding and W. A. Goddard, J. Am. Chem. Soc. 97, 6293 (1975); T. H. Dunning, D. C. Cartwright, W. J. Hunt, P. J. Hay, and F. W. Bobrowicz, J. Chem. Phys. 64, 4755 (1976).
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    • Ph. D. Dissertation, The Ohio State University, Columbus, Ohio
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    • private communication
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    • Tennyson, J.1
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    • 85033290686 scopus 로고    scopus 로고
    • Lists of the ab initio energy and dipole moment values and some of the fitted surfaces may be obtained by anonymous FTP from in the directory /pub/kedziora/water. See the README file in that directory for more information
    • Lists of the ab initio energy and dipole moment values and some of the fitted surfaces may be obtained by anonymous FTP from ftp.tcg. anl.gov in the directory /pub/kedziora/water. See the README file in that directory for more information.
  • 37
    • 36149018320 scopus 로고
    • A. S. Coolidge, H. M. James, and E. L. Vernon, Phys. Rev. 54, 726 (1938); V. Špirko, P. Jensen, P. R. Bunker, and A. Čejchan, J. Mol. Spectrosc. 112, 183 (1985).
    • (1938) Phys. Rev. , vol.54 , pp. 726
    • Coolidge, A.S.1    James, H.M.2    Vernon, E.L.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.