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Volumn 37, Issue 5, 1997, Pages 871-875

A comparison of neural networks versus quantum mechanics for inorganic systems

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0001409326     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci960134p     Document Type: Review
Times cited : (12)

References (23)
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    • Sigman, M.E.1    Rives, S.S.2
  • 6
    • 12044258095 scopus 로고
    • Theory and Applications of Neural Computing in Chemical Science
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    • Sumpter, B.1    Getino, C.2    Noid, D.3
  • 7
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    • Neural Networks: A New Method for Solving Chemical Problems or Just a Passing Phase?
    • (b) Zupan, J.; Gasteiger, J. Neural Networks: A New Method for Solving Chemical Problems or Just a Passing Phase? Anal. Chim. Acta 1991, 248, 1-30.
    • (1991) Anal. Chim. Acta , vol.248 , pp. 1-30
    • Zupan, J.1    Gasteiger, J.2
  • 10
  • 12
    • 0005744966 scopus 로고
    • Compact Effective Potentials and Efficient Shared-exponent Basis Sets for the First- and Second-row Atoms
    • (a) Stevens, W. J.; Basch, H. B.; Krauss, M. Compact Effective Potentials and Efficient Shared-exponent Basis Sets for the First- and Second-row Atoms. J. Chem. Phys. 1984, 81, 6026-6033.
    • (1984) J. Chem. Phys. , vol.81 , pp. 6026-6033
    • Stevens, W.J.1    Basch, H.B.2    Krauss, M.3
  • 13
    • 0001510524 scopus 로고
    • Relativistic Compact Potentials and Efficient, Shared-exponent Basis Sets for the Third-, Fourth-, and Fifth-row Atoms
    • (b) Stevens, W. J.; Basch, H. B.; Krauss, M.; Jasien, P. G. Relativistic Compact Potentials and Efficient, Shared-exponent Basis Sets for the Third-, Fourth-, and Fifth-row Atoms. Can. J. Chem. 1992, 70, 612-630.
    • (1992) Can. J. Chem. , vol.70 , pp. 612-630
    • Stevens, W.J.1    Basch, H.B.2    Krauss, M.3    Jasien, P.G.4
  • 14
    • 34548254354 scopus 로고
    • Effective Core Potentials for the Lanthanides
    • (c) Cundari, T. R.; Stevens, W. J. Effective Core Potentials for the Lanthanides; J. Chem. Phys. 1993, 98, 5555-5565.
    • (1993) J. Chem. Phys. , vol.98 , pp. 5555-5565
    • Cundari, T.R.1    Stevens, W.J.2
  • 15
    • 19944380529 scopus 로고    scopus 로고
    • Effective Core Potential Approaches to the Chemistry of the Heavier Elements
    • Boyd, D., Lipkowski, K., Eds.
    • Benson, M. T.; Cundari, T. R.; Lutz, M. L.; Sommerer, S. O. Effective Core Potential Approaches to the Chemistry of the Heavier Elements. In Reviews in Computational Chemistry; Boyd, D., Lipkowski, K., Eds.; 1996, 8, 145-202.
    • (1996) Reviews in Computational Chemistry , vol.8 , pp. 145-202
    • Benson, M.T.1    Cundari, T.R.2    Lutz, M.L.3    Sommerer, S.O.4
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    • note
    • 5
  • 17
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    • (a) Scaling Factors for Obtaining Fundamental Vibrational Frequencies and Zero-Point Energies from HF/6-31G* and MP2/6-31G* Harmonic Frequencies. Pople, J. A.; Scott, A. P.; Wong, M. W.; Radom, L. Israel J. Chem. 1993, 33, 345-350.
    • (1993) Israel J. Chem. , vol.33 , pp. 345-350
    • Pople, J.A.1    Scott, A.P.2    Wong, M.W.3    Radom, L.4
  • 23
    • 0001312501 scopus 로고
    • Density Functional Theory as a Practical Tool in Studies of Organometallic Energetics and Kinetics
    • Ziegler, T. Density Functional Theory as a Practical Tool in Studies of Organometallic Energetics and Kinetics; Can. J. Chem. 1995, 73, 743-761.
    • (1995) Can. J. Chem. , vol.73 , pp. 743-761
    • Ziegler, T.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.