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Volumn 106, Issue 6, 1997, Pages 2317-2322

The structure and stability of BnH+ clusters

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[No Author keywords available]

Indexed keywords


EID: 0000185724     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.473095     Document Type: Article
Times cited : (45)

References (30)
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    • note
    • MOLPRO 96 is a package of ab initio programs written by H.-J. Werner and P. J. Knowles, with contributions from J. Almlöf, R. D. Amos, M. J. O. Deegan, S. T. Elbert, C. Hampel, W. Meyer, K. Peterson, R. Pitzer, A. J. Stone, and P. R. Taylor.
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    • Ph.D. thesis 2561, University of Geneva
    • P. F. Flükiger, Ph.D. thesis 2561, University of Geneva, 1992.
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    • Becke, A.D.1
  • 23
    • 5944261746 scopus 로고
    • A. D. Becke, Phys. Rev. A 38, 3098 (1988); J. P. Perdew, Phys. Rev. B 33, 8822 (1986); 34, 7406(E) (1986).
    • (1986) Phys. Rev. B , vol.33 , pp. 8822
    • Perdew, J.P.1
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    • (1986) Phys. Rev. B , vol.34
  • 25
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    • Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy, edited by S. R. Langhoff Kluwer Academic, Dordrecht
    • K. Raghavachari and L. A. Curtiss, in Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy, Understanding Chemical Reactivity, Vol. 13, edited by S. R. Langhoff (Kluwer Academic, Dordrecht, 1995), p. 173; K. Raghavachari and C. M. Rohlfing, J. Chem. Phys. 89, 2219 (1988); K. Ragavachari (personal communication).
    • (1995) Understanding Chemical Reactivity , vol.13 , pp. 173
    • Raghavachari, K.1    Curtiss, L.A.2
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    • K. Raghavachari and L. A. Curtiss, in Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy, Understanding Chemical Reactivity, Vol. 13, edited by S. R. Langhoff (Kluwer Academic, Dordrecht, 1995), p. 173; K. Raghavachari and C. M. Rohlfing, J. Chem. Phys. 89, 2219 (1988); K. Ragavachari (personal communication).
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    • Raghavachari, K.1    Rohlfing, C.M.2
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    • personal communication
    • K. Raghavachari and L. A. Curtiss, in Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy, Understanding Chemical Reactivity, Vol. 13, edited by S. R. Langhoff (Kluwer Academic, Dordrecht, 1995), p. 173; K. Raghavachari and C. M. Rohlfing, J. Chem. Phys. 89, 2219 (1988); K. Ragavachari (personal communication).
    • Ragavachari, K.1


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