| 标题 |
Methods To Improve the Calculations of Solvation Model Density Solvation Free Energies and Associated Aqueous pKa Values: Comparison between Choosing an Optimal Theoretical Level, Solute Cavity Scaling, and Using Explicit Solvent Molecules |
| 网址 | |
| DOI | |
| 其它 |
期刊:The Journal of Physical Chemistry A 作者:Longkun Xu; Michelle L. Coote 出版日期:2019-08-06 |
| 求助人 | |
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(2025-6-4)