Evaluation of the SCF combination of KS-DFT and 3D-RISM-KH; Solvation effect on conformational equilibria, tautomerization energies, and activation barriers
Evaluation of the SCF combination of KS-DFT and 3D-RISM-KH; Solvation effect on conformational equilibria, tautomerization energies, and activation barriers
Format | Text, Article |
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Publication date | 2007 |
In | |
Peer reviewed | Yes |
NRC number | 345 |
NPARC number | 8926143 |
Export citation | Export as RIS |
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Record identifier | 37452591-868f-402c-b421-993b1c757fc3 |
Record created | 2009-04-23 |
Record modified | 2020-05-10 |
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