Electronic structure and driving forces in \(\alpha \)-cyclodextrin:butylparaben inclusion complexes (Q716796)
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scientific article; zbMATH DE number 5950816
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| English | Electronic structure and driving forces in \(\alpha \)-cyclodextrin:butylparaben inclusion complexes |
scientific article; zbMATH DE number 5950816 |
Statements
Electronic structure and driving forces in \(\alpha \)-cyclodextrin:butylparaben inclusion complexes (English)
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27 September 2011
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\(\alpha \)-cyclodextrin
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butylparaben
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DFT
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molecular dynamics
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electronic structure
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Morokuma-Kitaura energy decomposition
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0.6469916105270386
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0.6297411322593689
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0.6084129214286804
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