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- W2015095610 abstract "The conformational effects in bicyclo[3.3.1]nonanes, while thoroughly studied, have not yet received the full theoretical explanation. R. F. W. Bader's quantum theory of atoms in molecules presents unique opportunities for studying the stereoelectronic interactions (SEI) and weak intramolecular bonding leading to these effects. Here, we report the study of 3,7-dithia-1,5-diazabicyclo[3.3.1]nonane by means of the topological analysis of the calculated (MP2(full)/6-311++G**) and experimental (X-ray derived) charge density to reveal the origins of the so-called hockey sticks effect observed in similar compounds. A new explanation of the relative stability of bicyclo[3.3.1]nonane conformers based on the analysis of the QTAIM atomic energies is given. The H···H and S···S interactions in bicyclo[3.3.1]nonane and its dithia derivatives are shown to be significant factors contributing to the differences in the relative stability of the conformers." @default.
- W2015095610 created "2016-06-24" @default.
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- W2015095610 date "2011-09-01" @default.
- W2015095610 modified "2023-09-24" @default.
- W2015095610 title "The “Hockey Sticks” Effect Revisited: The Conformational and Electronic Properties of 3,7-Dithia-1,5-diazabicyclo[3.3.1]nonane from the QTAIM Perspective" @default.
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- W2015095610 cites W1966015619 @default.
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- W2015095610 cites W1978683587 @default.
- W2015095610 cites W1979579269 @default.
- W2015095610 cites W1980005333 @default.
- W2015095610 cites W1981111904 @default.
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- W2015095610 cites W1992099835 @default.
- W2015095610 cites W1995657463 @default.
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- W2015095610 doi "https://doi.org/10.1021/jp203730b" @default.
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