메뉴 건너뛰기




Volumn 18, Issue 2, 1996, Pages 65-75

Prediction of nonclassical hydrogen complexes of nontransition metals

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0030305421     PISSN: 02603594     EISSN: None     Source Type: Journal    
DOI: 10.1080/02603599608032714     Document Type: Article
Times cited : (6)

References (44)
  • 2
    • 0040668413 scopus 로고
    • G. J. Kubas, Comments Inorg. Chem. 7, 17 (1988): G. J. Kubas, Acc. Chem. Res. 21, 120 (1988).
    • (1988) Acc. Chem. Res. , vol.21 , pp. 120
    • Kubas, G.J.1
  • 10
    • 0000484926 scopus 로고
    • P. R. Schreiner, H. F. Schaefer III and P. vR. Schleyer, J. Chem. Phys. 101, 7625 (1994) J. D. Watts and R. J. Bartlett, J. Am. Chem. Soc. 117, 825 (1995).
    • (1995) J. Am. Chem. Soc. , vol.117 , pp. 825
    • Watts, J.D.1    Bartlett, R.J.2
  • 16
    • 43949163326 scopus 로고
    • D. W. Boo and Y. T. Lee, Chem. Phys. Lett. 211, 358 (1993). For some earlier experimental evidence, see M. D. Sefcik, J. M. S. Henis and P. G. Gaspar, J. Chem. Phys. 61, 4321 (1974).
    • (1993) Chem. Phys. Lett. , vol.211 , pp. 358
    • Boo, D.W.1    Lee, Y.T.2
  • 17
    • 0011656949 scopus 로고
    • D. W. Boo and Y. T. Lee, Chem. Phys. Lett. 211, 358 (1993). For some earlier experimental evidence, see M. D. Sefcik, J. M. S. Henis and P. G. Gaspar, J. Chem. Phys. 61, 4321 (1974).
    • (1974) J. Chem. Phys. , vol.61 , pp. 4321
    • Sefcik, M.D.1    Henis, J.M.S.2    Gaspar, P.G.3
  • 20
    • 5344251897 scopus 로고
    • P. J. Hay, Chem. Phys. Lett. 103, 466 (1984); P. J. Hay, J. Am. Chem. Soc. 109, 705 (1987).
    • (1984) Chem. Phys. Lett. , vol.103 , pp. 466
    • Hay, P.J.1
  • 21
    • 33845282709 scopus 로고
    • P. J. Hay, Chem. Phys. Lett. 103, 466 (1984); P. J. Hay, J. Am. Chem. Soc. 109, 705 (1987).
    • (1987) J. Am. Chem. Soc. , vol.109 , pp. 705
    • Hay, P.J.1
  • 41
    • 6944251055 scopus 로고
    • as implemented for the energy, gradients and second derivatives of the energy in CADPAC5. The Cambridge Analytic Derivatives Package, Issue 5, Cambridge 1992, a suite of quantum chemistry programs developed by R. D. Amos with contributions from I. L. Alberts, J. S. Andrews, S. M. Colwell, N. C. Handy, D. Jayatilaka, P. J. Knowles, R. Kobayashi, N. Koga, K. E. Laidig, P. E. Maslen, C. W. Murray, J. E. Rice, J. Sanz, E. D. Simandiras, A. J. Stone and M.-D. Su
    • C. Moller and M. S. Plesset, Phys. Rev. 46, 618 (1934), as implemented for the energy, gradients and second derivatives of the energy in CADPAC5. The Cambridge Analytic Derivatives Package, Issue 5, Cambridge 1992, a suite of quantum chemistry programs developed by R. D. Amos with contributions from I. L. Alberts, J. S. Andrews, S. M. Colwell, N. C. Handy, D. Jayatilaka, P. J. Knowles, R. Kobayashi, N. Koga, K. E. Laidig, P. E. Maslen, C. W. Murray, J. E. Rice, J. Sanz, E. D. Simandiras, A. J. Stone and M.-D. Su.
    • (1934) Phys. Rev. , vol.46 , pp. 618
    • Moller, C.1    Plesset, M.S.2
  • 42
    • 36549105024 scopus 로고
    • with extensions for extra diffuse and tight functions. For the Li atom in the cluster complex the basis is reduced to 8s5p2d contracted functions. For H we use a 10s4p1d/6s4p1d basis for the triatomic calculations and a 3s2p set for the cluster complex
    • For Li and Be atoms we use 14s8p7d4f/9s8p7d3f and 14s7p7d4f/9s7p7d3f basis sets, respectively, based on C. W. Bauschlicher, S. R. Langhoff and H. Partridge, J. Chem. Phys. 84, 901 (1986), with extensions for extra diffuse and tight functions. For the Li atom in the cluster complex the basis is reduced to 8s5p2d contracted functions. For H we use a 10s4p1d/6s4p1d basis for the triatomic calculations and a 3s2p set for the cluster complex.
    • (1986) J. Chem. Phys. , vol.84 , pp. 901
    • Bauschlicher, C.W.1    Langhoff, S.R.2    Partridge, H.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.