| Tartalom: |
http://real.mtak.hu/5410/ |
| Archívum: |
MTA Könyvtár |
| Gyűjtemény: |
Status = Published
Type = Article
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| Cím: |
Molecular shape, dimensions, and shape selective catalysis
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| Létrehozó: |
Tasi, Gyula
Pálinkó, István
Molnár, Árpád
Hannus, István
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| Kiadó: |
Elsevier
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| Dátum: |
2003
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| Téma: |
QD Chemistry / kémia
QD02 Physical chemistry / fizikai kémia
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| Tartalmi leírás: |
Molecular shape is a fundamental quantum mechanical property determined by the spatial distribution of electrons in the molecule. Enzymes, the catalysts of biology, and zeolites, the catalysts of inorganic chemistry, show remarkable shape selective properties. Generally, the active sites are confined within the three-dimensional structures of the catalysts, so the fate of the reactant/intermediate/product molecules depends primarily on their molecular shapes and dimensions. An ab initio method is applied for calculating molecular shapes and dimensions. Selective alkylation of naphthalene over various zeolites is reviewed and discussed in this paper from the viewpoints of these properties.
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| Típus: |
Article
PeerReviewed
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| Formátum: |
text
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| Azonosító: |
Tasi, Gyula and Pálinkó, István and Molnár, Árpád and Hannus, István (2003) Molecular shape, dimensions, and shape selective catalysis. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 666-67. pp. 69-77. ISSN 0166-1280
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