검색결과 : 3건
| No. | Article |
|---|---|
| 1 |
Can Path Integral Molecular Dynamics Make a Good Approximation for Vapor Pressure Isotope Effects Prediction for Organic Solvents? A Comparison to ONIOM QM/MM and QM Cluster Calculation Vasquez L, Rostkowski M, Gelman F, Dybala-Defratyka A Journal of Physical Chemistry B, 122(29), 7353, 2018 |
| 2 |
Influence of the solvent description on the predicted mechanism of S(N)2 reactions Wujec M, Siwek A, Dzierzawska J, Rostkowski M, Kaminski R, Paneth P Journal of Physical Chemistry B, 112(39), 12414, 2008 |
| 3 |
Analysis of conformer stability for 1,3,8-trihydroxynaphthalene: Natural substrate of fungal trihydroxynaphthalene reductase Rostkowski M, Paneth P Journal of Physical Chemistry B, 111(28), 8314, 2007 |