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- W1967929500 abstract "In this article, ab initio HF/6–31G(d,p) and DFT–BP86 determination of the enthalpies of specific isodesmic reactions coupled with thermodynamical bond enthalpy data leads to an estimation of Si–N bond strengths at 300 K in some cyclodi- and cyclotrisilazanes. These results allow us to predict that four-membered cyclosilazanes present a larger propensity to ring-opening than six-membered compounds and that methyl substitution on nitrogen atoms mainly determines the decrease of the Si–N bond strength in the four and six-membered-ring families. All these results are consistent with the experimental behaviour known for these compounds." @default.
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- W1967929500 date "1999-09-01" @default.
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- W1967929500 title "Structures and Si–N bond strengths of some cyclodi- and cyclotrisilazanes" @default.
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- W1967929500 doi "https://doi.org/10.1016/s0166-1280(98)00588-0" @default.
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