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Wittig series and DYKAT free-3 route computed from the Gaussian jobs - #16

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claude/serene-wright-bcwkr5

Sep 28, 2026

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Wittig series and DYKAT free-3 route computed from the Gaussian jobs#16
bobbypaton merged 2 commits into
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Commits on Sep 28, 2026
- Wittig case computed: 6-TS job, the two steps in series, both weightings
  claude
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- DYKAT from free 3: the binding isotope effect the measurement does not show
  claude
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