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Study of the role of Zn in aromatization of light alkanes with probe molecules

✍ Scribed by Smiešková, Agáta ;Rojasová, Edita ;Hudec, Pavol ;Šabo, Luboš

Book ID
111606184
Publisher
Springer
Year
2004
Tongue
English
Weight
50 KB
Volume
82
Category
Article
ISSN
0133-1736

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✍ J.M. Martinez-Magadán; A. Ramírez-Solís; O. Novaro 📂 Article 📅 1991 🏛 Elsevier Science 🌐 English ⚖ 510 KB

The Czv potential energy curves for the interaction of Zn, Zn\* and Zn\*+ with the hydrogen molecule were calculated at the MRCI+ MP2 level using the pseudopotential method of Durand et al. and double-c Gaussian basis sets. The 'A,, 'B, and 'B2 curvesforZn+H,, the\*A,, \*BJp) and2B,(d) curve~forZn++