Evaluation of the SCF combination of KS-DFT and 3D-RISM-KH; Solvation effect on conformational equilibria, tautomerization energies, and activation barriers

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NRC number345
NPARC number8926143
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Record identifier37452591-868f-402c-b421-993b1c757fc3
Record created2009-04-23
Record modified2020-05-10
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