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Quantum crystallography: The structure and C-C bond length alternation of
[18]-annulene.
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In my story about one of the molecules of the year, cyclo[48]carbon, I
noted that the DFT method used in the literature to model the C-C bond
length alte...
2 days ago
1 comment:
Example: in equation 3.1, the density is a function of r1, but later in the book r is used. What's the difference?
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