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Volumn 304, Issue 5667, 2004, Pages 84-87

Formation of Al13I-: Evidence for the Superhalogen Character of Al13

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE; HALIDE MINERALS; IODINE; STABILITY;

EID: 1842477214     PISSN: 00368075     EISSN: None     Source Type: Journal    
DOI: 10.1126/science.1093902     Document Type: Article
Times cited : (529)

References (34)
  • 22
    • 1842551802 scopus 로고    scopus 로고
    • note
    • - was observed as a somewhat stable cluster in the oxygen-etching experiments of Leuchtner et al. (1).
  • 27
    • 1842551801 scopus 로고    scopus 로고
    • note
    • Atomic orbitals are expressed as a linear combination of Gaussian functions centered at the atomic positions, and the matrix elements of the Hamiltonian are calculated by numerically integrating over a mesh of points. The actual studies were carried out using the NRLMOL set of codes developed by Pederson and Jackson (26, 28-30). The basis sets (28) for Al had 6s, 5p, and 3d Gaussians; those for I had 8s, 7p, and 5d Gaussians. In each case, the basis sets were supplemented with an extra d Gaussian.
  • 34
    • 1842551797 scopus 로고    scopus 로고
    • note
    • Supported by U.S. Air Force Office of Scientific Research grant F49620-01-1-03B0 (D.E.B. and A.W.C.) for the experimental phase of the work, and U.S. Department of Energy grant DE-FG02-02ER46009 (T.M. and S.N.K.) for support of the theoretical studies.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.