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Short B-H…H-O Interactions in crystal structures – a short DFT Exploration
using B3LYP+D4 and r2scan-3c
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In the previous post, I was commenting that the transition state for
borohydride reduction of a ketone contained some close contacts between the
hydrogen...
1 day 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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