Rui Sun
Affiliations: | University of Hawaii, Honolulu, HI, United States |
Area:
Computational ChemistryGoogle:
"Rui Sun"Mean distance: (not calculated yet)
Parents
Sign in to add mentor| Daniel Neuhauser | research assistant | ||
| William L. Hase | grad student | ||
| Gregory A. Voth | post-doc |
BETA: Related publications
See more...
Publications
|
You can help our author matching system! If you notice any publications incorrectly attributed to this author, please sign in and mark matches as correct or incorrect. |
| He C, Yang Z, Doddipatla S, et al. (2022) Directed gas phase preparation of ethynylallene (HCCCHCCH; XA') the crossed molecular beam reaction of the methylidyne radical (CH; XΠ) with vinylacetylene (HCCHCCH; XA'). Physical Chemistry Chemical Physics : Pccp |
| Fujioka K, Weitzel KM, Sun R. (2022) The Potential Energy Profile of the HBr + HCl Bimolecular Collision. The Journal of Physical Chemistry. A |
| Luo Y, Fujioka K, Shoji A, et al. (2020) Theoretical Study of the Dynamics of the HBr + CO → HOCO + Br Reaction. The Journal of Physical Chemistry. A |
| Shoji A, Schanzenbach D, Merrill R, et al. (2019) A Theoretical Study of the Potential Energy Profile of the HBr + CO → HOCO + Br· Reaction. The Journal of Physical Chemistry. A |
| Aydin F, Sun R, Swanson JMJ. (2019) Mycolactone Toxin Membrane Permeation: Atomistic versus Coarse-Grained MARTINI Simulations. Biophysical Journal |
| Sun R, Han Y, Swanson JMJ, et al. (2018) Molecular transport through membranes: Accurate permeability coefficients from multidimensional potentials of mean force and local diffusion constants. The Journal of Chemical Physics. 149: 072310 |
| Liu X, Zhao C, Yang L, et al. (2017) Indirect dynamics in SN2@N: insight into the influence of central atoms. Physical Chemistry Chemical Physics : Pccp |
| Sun R, Sode O, Dama JF, et al. (2017) Simulating Protein Mediated Hydrolysis of ATP and Other Nucleoside Triphosphates by Combining QM/MM Molecular Dynamics with Advances in Metadynamics. Journal of Chemical Theory and Computation |
| Sun R, Dama JF, Tan JS, et al. (2016) Transition-Tempered Metadynamics is a Promising Tool for Studying the Permeation of Drug-like Molecules through Membranes. Journal of Chemical Theory and Computation |
| Liu X, Zhang J, Yang L, et al. (2016) Theoretical Studies on F- + NH2Cl Reaction: Nucleophilic Substitution at Neutral Nitrogen. The Journal of Physical Chemistry. A |