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Volumn 126, Issue 12, 2007, Pages

Anomalous neutron Compton scattering cross sections in ammonium hexachlorometallates

Author keywords

[No Author keywords available]

Indexed keywords

AMMONIUM COMPOUNDS; BONDING; ELECTRONIC STRUCTURE; NEUTRON SCATTERING; PROTONS;

EID: 34047139974     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2673053     Document Type: Article
Times cited : (7)

References (75)
  • 63
    • 84915486634 scopus 로고    scopus 로고
    • V. F. Sears, Neutron News 3, 26 (1992).
    • V. F. Sears, Neutron News 3, 26 (1992).
  • 64
    • 0003573829 scopus 로고
    • Rutherford Appleton Laboratory Technical Report No. RAL-91-048
    • unpublished
    • J. Mayers and A. C. Evans, Rutherford Appleton Laboratory Technical Report No. RAL-91-048, 1991 (unpublished).
    • (1991)
    • Mayers, J.1    Evans, A.C.2
  • 73
    • 34047143763 scopus 로고    scopus 로고
    • Natl. Bur. Stand. (U.S.) Misc. Publ. No. 7 (U.S. GPO, Washington, D.C., 1959), 8.
    • Natl. Bur. Stand. (U.S.) Misc. Publ. No. 7 (U.S. GPO, Washington, D.C., 1959), Vol. 8.
  • 74
    • 34047176946 scopus 로고    scopus 로고
    • Natl. Bur. Stand. (U.S.) Misc. Publ. No. 8 (U.S. GPO, Washington, D.C., 1959), 8.
    • Natl. Bur. Stand. (U.S.) Misc. Publ. No. 8 (U.S. GPO, Washington, D.C., 1959), Vol. 8.
  • 75
    • 0035155484 scopus 로고    scopus 로고
    • We have performed B3LYP-DFT calculations in GAUSSIAN 98 treating the NH4+ ion as an isolated molecule. From the vibrational analysis, based on the isotropic harmonic oscillator model, we have calculated σp(H) equal to ca. 5.9 Å-1, which is a value slightly higher than measured, 5 Å-1. The use of spherically averaged multivariate Gaussian momentum distribution [see, e.g, C. Andreani, E. Degiorgi, R. Senesi, F. Cilloco, D. Colognesi, J. Mayers, M. Nordone, and E. Pace, J. Chem. Phys. 114, 387 2001, would be in general a more appropriate choice. Further work on this matter is in progress
    • -1. The use of spherically averaged multivariate Gaussian momentum distribution [see, e.g., C. Andreani, E. Degiorgi, R. Senesi, F. Cilloco, D. Colognesi, J. Mayers, M. Nordone, and E. Pace, J. Chem. Phys. 114, 387 (2001)] would be in general a more appropriate choice. Further work on this matter is in progress.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.