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  • Fangstrom, T, et al. (author)
  • Theoretical study of the insertion reactions of aluminum with H2O, NH3, HCl, and Cl-2
  • 1998
  • In: JOURNAL OF PHYSICAL CHEMISTRY A. - 1089-5639. ; 102:6, s. 1005-1017
  • Journal article (other academic/artistic)abstract
    • Stationary points on the potential energy surfaces describing the reactions between Al and H2O, NH3, HCl, and Cl-2 respectively, have been optimized at the ab initio MP2 and QCISD levels as well as by density functional theory (DFT) using the B3LYP functi
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Type of publication
journal article (1)
Type of content
other academic/artistic (1)
Author/Editor
Lunell, S (1)
Eriksson, LA (1)
Fangstrom, T (1)
Kasai, PH (1)
University
Uppsala University (1)
Language
English (1)
Year
1998 (1)

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