Computing solvation free energies of small molecules with first principles
accuracy
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J. Harry Moore, Daniel J. Cole, and Gábor Csányi (2025)
Highlighted by Jan Jensen
Local CCSD(T) has made it possible to reach near chemical accuracy for...
3 hours 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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