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Energy span theory #4

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ms860309 opened this issue May 13, 2021 · 0 comments
Open

Energy span theory #4

ms860309 opened this issue May 13, 2021 · 0 comments
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enhancement New feature or request

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@ms860309
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As title, for a given serial energy of states return its highest state and lowest state.
Which is the rate determined step (R.D.S.) of the reaction.
@ms860309 ms860309 added the enhancement New feature or request label May 13, 2021
ms860309 added a commit that referenced this issue May 13, 2021
@ms860309
add energy span theory analysis for #4, and move the network drawer t…
607690a 
…o analysis directory
ms860309 added a commit that referenced this issue May 13, 2021
@ms860309
Merge pull request #5 from ms860309/energy_span_theory
853a359 
add energy span theory analysis for #4, and move the network drawer t…
ms860309 added a commit that referenced this issue Jun 12, 2021
@ms860309
first commit about energy span #4 , the code is written by grace and …
3d0601d 
…modified by jianyi
ms860309 added a commit that referenced this issue Jun 13, 2021
@ms860309
#4. Use the smiles to predict
f413aba
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