Adsorption of methanol on the nanocrysta
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H. Roohi; M. Azarpour
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Article
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2008
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Elsevier Science
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English
β 764 KB
Adsorption of methanol on the H-zeolite and ion-exchanged M-zeolites (M = Li, Na, and K) has been investigated using 3T cluster model at the B3LYP/6-31++G(d,p) and MP2/6-31++G(d,p) levels and 5T cluster model at B3LYP/6-31++G(d,p) level of theory. The adsorption energy of methanol on the M-zeolites