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3 questions
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Chemical reaction of radicals with different multiplicity
I am studying the chemical reaction of radicals by computational chemistry software.
I just want to know what is the rules for multiplicity.
I have two radicals for which, the ground state of one is a ...
- 11
1
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0
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166
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How is occupation number of lowest unoccupied natural orbital defined?
I have run some calculations to analyse the occupation of natural orbitals. Since it is needed to run in triplet state, I get two orbitals with occupation number 1. Now, which orbital occupation ...
- 81
7
votes
1
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452
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Geometries of methyl and silyl radicals
The $\ce{.CH3}$ radical is planar but the $\ce{.SiH3}$ radical is a trigonal pyramid. Why are they different? After all, $\ce{C}$ and $\ce{Si}$ are in the same group.
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