검색결과 : 3건
| No. | Article |
|---|---|
| 1 |
Energy Decomposition Analysis for Interactions of Radicals: Theory and Implementation at the MP2 Level with Application to Hydration of Halogenated Benzene Cations and Complexes between CO2-center dot and Pyridine and Imidazole Loipersberger M, Lee J, Mao YZ, Das AK, Ikeda K, Thirman J, Head-Gordon T, Head-Gordon M Journal of Physical Chemistry A, 123(44), 9621, 2019 |
| 2 |
Reduced Free Energy Perturbation/Hamiltonian Replica Exchange Molecular Dynamics Method with Unbiased Alchemical Thermodynamic Axis Jiang W, Thirman J, Jo S, Roux B Journal of Physical Chemistry B, 122(41), 9435, 2018 |
| 3 |
Efficient Implementation of Energy Decomposition Analysis for Second-Order Moller-Plesset Perturbation Theory and Application to Anion-pi Interactions Thirman J, Head-Gordon M Journal of Physical Chemistry A, 121(3), 717, 2017 |