메뉴 건너뛰기




Volumn 628, Issue 9-10, 2002, Pages 1991-1999

The crystal structures of ClF3O, BrF3O, and [NO]+[BrF4O]-

Author keywords

Bromine trifluoride oxide; Chlorine trifluoride oxide; Coupled cluster calculations; Crystal structures; Force fields; Oxotetrafluorobromate(V); Oxotetrafluorochlorate(V); Vibrational spectroscopy

Indexed keywords

BROMINE; CHLORINE; FLUORINE; OXYGEN;

EID: 0036384218     PISSN: 00442313     EISSN: None     Source Type: Journal    
DOI: 10.1002/1521-3749(200209)628:9/10<1991::AID-ZAAC1991>3.0.CO;2-1     Document Type: Article
Times cited : (13)

References (72)
  • 3
    • 0010623132 scopus 로고
    • J. I. Musher, Angew. Chem. 1969, 81, XX; Angew. Chem. Intern. Ed. Engl. 1969, 8, 54.
    • (1969) Angew. Chem. , vol.81
    • Musher, J.I.1
  • 4
  • 6
    • 0004142591 scopus 로고
    • Van Nostrand Reinhold Company, London
    • R. J. Gillespie, Molecular Geometry, Van Nostrand Reinhold Company, London, 1972.
    • (1972) Molecular Geometry
    • Gillespie, R.J.1
  • 9
    • 33749113333 scopus 로고    scopus 로고
    • R. J. Gillespie, E. A. Robinson, Angew. Chem. 1996, 108, XXX; Angew. Chem. Intern. Ed. Engl. 1996, 35, 495.
    • (1996) Angew. Chem. Intern. Ed. Engl. , vol.35 , pp. 495
  • 53
    • 0024815212 scopus 로고
    • A. R. Mahjoub, A. Hoser, J. Fuchs, K. Seppelt, Angew. Chem. 1989, 101, 1528; Angew. Chem. Int. Ed. Engl. 1989, 28, 1526.
    • (1989) Angew. Chem. Int. Ed. Engl. , vol.28 , pp. 1526
  • 65
    • 0010588725 scopus 로고    scopus 로고
    • note
    • The B3LYP functional uses a three-parameter exchange functional of Becke (B3) [A. D. Becke, J. Chem. Phys. 1993, 98, 5648; P. J. Stephens, C. F. Devlin, C. F. Chabalowski, M. J. Frisch, J. Phys. Chem. 1994, 98, 11623] and the Lee, Yang, and Parr (LYP) correlation gradient-corrected functional [C. Lee, W. Yang, R. G. Parr, Phys. Rev. B 1988, 37, 785].
  • 68
    • 0010623133 scopus 로고
    • G. Malli (ed.), Relativistic and Electron Correlation Effects in Molecules, Plenum, New York
    • M. Dupuis, S. Chin, A. Marquez, in: G. Malli (ed.), Relativistic and Electron Correlation Effects in Molecules, Plenum, New York, 1994.
    • (1994)
    • Dupuis, M.1    Chin, S.2    Marquez, A.3
  • 70
    • 0001925878 scopus 로고
    • Applications of post-Hartree-Fock methods: A Tutorial
    • K. B. Lipkowitz, D. B. Boyd, (Eds.), VCH Publishers, New York
    • R. J. Bartlett, R. J. Stanton, Applications of post-Hartree-Fock methods: A Tutorial, in: K. B. Lipkowitz, D. B. Boyd, (Eds.), Reviews of Computational Chemistry, Vol. V, VCH Publishers, New York, 1994.
    • (1994) Reviews of Computational Chemistry , vol.5
    • Bartlett, R.J.1    Stanton, R.J.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.