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more..
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33645361860
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note
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-6 bohr.
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22
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33645332251
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note
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A pruned (99 590) grid was utilized; tungsten defaults to an unpruned grid.
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24
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33645342907
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note
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Page 117 of ref 23 provides a graphic description of the bond angles around an unhybridized atom.
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0037206433
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Zhang, L.; Zhang, Y.; Tao, H.; Sun, X.; Guo, Z.; Zhu, L. THEOCHEM 2002, 617, 87-97.
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28
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33645359626
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note
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This energy difference is based upon the difference in the calculated energies of anti- and gauche-1b (or 2b) at 298.15 K after correction for the fact that there should be no entropic contribution due to differences in the calculated frequency of the hindered rotation around the W-Sn bond; see the explanation of this correction in the Supporting Information for further details.
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29
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33645351306
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note
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This simple argument is further complicated should there be a temperature dependence to ΔΔH or ΔΔS; however, since the small energy differences indicated by the calculations are within the expected margin of error, it seems unwise to extend the analysis.
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0002263988
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33645361036
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