2015 |
N-Heterocyclic carbene nitric oxide radicals Park, J.; Song. H.; Kim, Y.; Eun, B.; Kim Y.; Bae, D.Y.; Park, S.; Rhee, Y.M.; Kim, W.J.; Kim, K.; Lee, E.* [J. Am. Chem. Soc. 137, 4642-4645(2015)] Abstract |
2015 |
On surface hopping and time-reversal Subotnik, J.E.*; Rhee, Y.M. [J. Phys. Chem. A 119, 990-995(2015)] Abstract |
2015 |
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Shao, Y et al. [Mol. Phys. 113, 184-215(2015)] Abstract |
2014 |
Diabatic population matrix formalism for performing molecular mechanics style simulations with multiple electronic states Park, J.W.; Rhee, Y.M.* [J. Chem. Theory Comput. 10, 5238-5253(2014)] Abstract |
2014 |
Improving long time behavior of Poisson bracket mapping equation: a mapping variable scaling approach Kim, H.W.; Lee, W.-G.; Rhee, Y.M.* [J. Chem. Phys. 141, 124107-(2014)] Abstract |
2014 |
Towards the realization of ab initio dynamics at the speed of molecular mechanics: Simulations with interpolated diabatic Hamiltonian Park, J.W.; Rhee, Y.M.* [ChemPhysChem 15, 3183-3193(2014)] Abstract |
2014 |
Poly-cyclodextrin and poly-paclitaxel nano-assembly for anticancer therapy Namgung, R.; Lee, Y.M.; Kim, J.; Jang, Y.; Lee, B.-H.; Kim, I.-S.; Sokkar, P.; Rhee, Y.M.; Hoffman, A.S.; Kim, W.J.* [Nat. Commun. 5, 3702-(2014)] Abstract |
2014 |
Improving long time behavior of Poisson bracket mapping equation: a non-Hamiltonian approach Kim, H.W.; Rhee, Y.M.* [J. Chem. Phys. 140, 184106-(2014)] Abstract |