메뉴 건너뛰기




Volumn 370, Issue 2-3, 1997, Pages 355-363

New quasi-planar surfaces of bare boron

Author keywords

Ab initio quantum chemical methods and calculations; Boron; Clusters; Density functional calculations; Surface structure, morphology, roughness, and topography

Indexed keywords

BORON; CALCULATIONS; ELECTRON ENERGY LEVELS; MORPHOLOGY; QUANTUM THEORY; SURFACE ROUGHNESS; SURFACE STRUCTURE;

EID: 0030784660     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(96)00969-7     Document Type: Article
Times cited : (240)

References (52)
  • 10
    • 0039220286 scopus 로고
    • Ed. G.K. Gaule Plenum, New York
    • W. Diets and H. Helmberger, Boron, Vol. II, Ed. G.K. Gaule (Plenum, New York, 1965) p. 301.
    • (1965) Boron , vol.2 , pp. 301
    • Diets, W.1    Helmberger, H.2
  • 11
    • 0040298266 scopus 로고
    • Ed. V.I. Matkovich Springer, New York
    • R. Naslain, in: Boron and Refractory Borides, Ed. V.I. Matkovich (Springer, New York, 1977) p. 139.
    • (1977) Boron and Refractory Borides , pp. 139
    • Naslain, R.1
  • 23
    • 0001005032 scopus 로고
    • Ed. K.P. Lawley Wiley, New York
    • H.B. Schlegel, in: Ab Initio Methods in Quantum Chemistry, Ed. K.P. Lawley (Wiley, New York, 1987) p. 249; J.D. Head and M.C. Zerner, Adv. Quantum Chem. 20 (1989) 239.
    • (1987) Ab Initio Methods in Quantum Chemistry , pp. 249
    • Schlegel, H.B.1
  • 24
    • 0000539633 scopus 로고
    • H.B. Schlegel, in: Ab Initio Methods in Quantum Chemistry, Ed. K.P. Lawley (Wiley, New York, 1987) p. 249; J.D. Head and M.C. Zerner, Adv. Quantum Chem. 20 (1989) 239.
    • (1989) Adv. Quantum Chem. , vol.20 , pp. 239
    • Head, J.D.1    Zerner, M.C.2
  • 28
    • 11744283687 scopus 로고
    • W.J. Hehre, R.F. Stewart and J.A. Pople, J. Chem. Phys. 51 (1969) 2657; W.J. Hehre, R. Dichtfield, R.F. Stewart and J.A. Pople, J. Chem. Phys. 52 (1976) 2769; W.J. Pietro and W.J. Hehre, J. Comput. Chem. 4 (1983) 241; J.B. Collins, P. van R. Schleyer, J.S. Binkley and J.A. Pople, J. Chem. Phys. 64 (1976) 5142; H. Tatewaki and S. Huzinaga, J. Chem. Phys. 72 (1980) 399.
    • (1969) J. Chem. Phys. , vol.51 , pp. 2657
    • Hehre, W.J.1    Stewart, R.F.2    Pople, J.A.3
  • 29
    • 36849104916 scopus 로고
    • W.J. Hehre, R.F. Stewart and J.A. Pople, J. Chem. Phys. 51 (1969) 2657; W.J. Hehre, R. Dichtfield, R.F. Stewart and J.A. Pople, J. Chem. Phys. 52 (1976) 2769; W.J. Pietro and W.J. Hehre, J. Comput. Chem. 4 (1983) 241; J.B. Collins, P. van R. Schleyer, J.S. Binkley and J.A. Pople, J. Chem. Phys. 64 (1976) 5142; H. Tatewaki and S. Huzinaga, J. Chem. Phys. 72 (1980) 399.
    • (1976) J. Chem. Phys. , vol.52 , pp. 2769
    • Hehre, W.J.1    Dichtfield, R.2    Stewart, R.F.3    Pople, J.A.4
  • 30
    • 84986437102 scopus 로고
    • W.J. Hehre, R.F. Stewart and J.A. Pople, J. Chem. Phys. 51 (1969) 2657; W.J. Hehre, R. Dichtfield, R.F. Stewart and J.A. Pople, J. Chem. Phys. 52 (1976) 2769; W.J. Pietro and W.J. Hehre, J. Comput. Chem. 4 (1983) 241; J.B. Collins, P. van R. Schleyer, J.S. Binkley and J.A. Pople, J. Chem. Phys. 64 (1976) 5142; H. Tatewaki and S. Huzinaga, J. Chem. Phys. 72 (1980) 399.
    • (1983) J. Comput. Chem. , vol.4 , pp. 241
    • Pietro, W.J.1    Hehre, W.J.2
  • 31
    • 33845307371 scopus 로고
    • W.J. Hehre, R.F. Stewart and J.A. Pople, J. Chem. Phys. 51 (1969) 2657; W.J. Hehre, R. Dichtfield, R.F. Stewart and J.A. Pople, J. Chem. Phys. 52 (1976) 2769; W.J. Pietro and W.J. Hehre, J. Comput. Chem. 4 (1983) 241; J.B. Collins, P. van R. Schleyer, J.S. Binkley and J.A. Pople, J. Chem. Phys. 64 (1976) 5142; H. Tatewaki and S. Huzinaga, J. Chem. Phys. 72 (1980) 399.
    • (1976) J. Chem. Phys. , vol.64 , pp. 5142
    • Collins, J.B.1    Schleyer, P.V.R.2    Binkley, J.S.3    Pople, J.A.4
  • 32
    • 0042442434 scopus 로고
    • W.J. Hehre, R.F. Stewart and J.A. Pople, J. Chem. Phys. 51 (1969) 2657; W.J. Hehre, R. Dichtfield, R.F. Stewart and J.A. Pople, J. Chem. Phys. 52 (1976) 2769; W.J. Pietro and W.J. Hehre, J. Comput. Chem. 4 (1983) 241; J.B. Collins, P. van R. Schleyer, J.S. Binkley and J.A. Pople, J. Chem. Phys. 64 (1976) 5142; H. Tatewaki and S. Huzinaga, J. Chem. Phys. 72 (1980) 399.
    • (1980) J. Chem. Phys. , vol.72 , pp. 399
    • Tatewaki, H.1    Huzinaga, S.2
  • 33
    • 2442617487 scopus 로고
    • J.S. Binkley, J.A. Pople and W.J. Hehre, J. Am. Chem. Soc. 102 (1980) 939; M.S. Gordon, J.S. Binkley, J.A. Pople, W.J. Pietro and W.J. Hehre, J. Am. Chem. Soc. 104 (1982) 2797; M.J. Frisch, J.A. Pople and J.S. Binkley, J. Chem. Phys. 80 (1984) 3265; K.D. Dobbs and W.J. Hehre, J. Comput. Chem. 7 (1986) 359; 8 (1987) 861.
    • (1980) J. Am. Chem. Soc. , vol.102 , pp. 939
    • Binkley, J.S.1    Pople, J.A.2    Hehre, W.J.3
  • 34
    • 33845555195 scopus 로고
    • J.S. Binkley, J.A. Pople and W.J. Hehre, J. Am. Chem. Soc. 102 (1980) 939; M.S. Gordon, J.S. Binkley, J.A. Pople, W.J. Pietro and W.J. Hehre, J. Am. Chem. Soc. 104 (1982) 2797; M.J. Frisch, J.A. Pople and J.S. Binkley, J. Chem. Phys. 80 (1984) 3265; K.D. Dobbs and W.J. Hehre, J. Comput. Chem. 7 (1986) 359; 8 (1987) 861.
    • (1982) J. Am. Chem. Soc. , vol.104 , pp. 2797
    • Gordon, M.S.1    Binkley, J.S.2    Pople, J.A.3    Pietro, W.J.4    Hehre, W.J.5
  • 35
    • 36549091139 scopus 로고
    • J.S. Binkley, J.A. Pople and W.J. Hehre, J. Am. Chem. Soc. 102 (1980) 939; M.S. Gordon, J.S. Binkley, J.A. Pople, W.J. Pietro and W.J. Hehre, J. Am. Chem. Soc. 104 (1982) 2797; M.J. Frisch, J.A. Pople and J.S. Binkley, J. Chem. Phys. 80 (1984) 3265; K.D. Dobbs and W.J. Hehre, J. Comput. Chem. 7 (1986) 359; 8 (1987) 861.
    • (1984) J. Chem. Phys. , vol.80 , pp. 3265
    • Frisch, M.J.1    Pople, J.A.2    Binkley, J.S.3
  • 36
    • 84988141861 scopus 로고
    • J.S. Binkley, J.A. Pople and W.J. Hehre, J. Am. Chem. Soc. 102 (1980) 939; M.S. Gordon, J.S. Binkley, J.A. Pople, W.J. Pietro and W.J. Hehre, J. Am. Chem. Soc. 104 (1982) 2797; M.J. Frisch, J.A. Pople and J.S. Binkley, J. Chem. Phys. 80 (1984) 3265; K.D. Dobbs and W.J. Hehre, J. Comput. Chem. 7 (1986) 359; 8 (1987) 861.
    • (1986) J. Comput. Chem. , vol.7 , pp. 359
    • Dobbs, K.D.1    Hehre, W.J.2
  • 37
    • 84988112847 scopus 로고
    • J.S. Binkley, J.A. Pople and W.J. Hehre, J. Am. Chem. Soc. 102 (1980) 939; M.S. Gordon, J.S. Binkley, J.A. Pople, W.J. Pietro and W.J. Hehre, J. Am. Chem. Soc. 104 (1982) 2797; M.J. Frisch, J.A. Pople and J.S. Binkley, J. Chem. Phys. 80 (1984) 3265; K.D. Dobbs and W.J. Hehre, J. Comput. Chem. 7 (1986) 359; 8 (1987) 861.
    • (1987) J. Comput. Chem. , vol.8 , pp. 861
  • 47
    • 4243553426 scopus 로고
    • A.D. Becke, Phys. Rev. A 38 (1988) 3098; J. Chem. Phys. 88 (1988) 2547.
    • (1988) Phys. Rev. A , vol.38 , pp. 3098
    • Becke, A.D.1
  • 48
    • 0043049887 scopus 로고
    • A.D. Becke, Phys. Rev. A 38 (1988) 3098; J. Chem. Phys. 88 (1988) 2547.
    • (1988) J. Chem. Phys. , vol.88 , pp. 2547


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.