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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| Description | scientific article published in March 2007 |
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author: David Casanova Sergey Gusarov |
| Publication date | March 1, 2007 |
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