Artikel dengan mandat akses publik - Rui SunPelajari lebih lanjut
Tidak tersedia di mana pun: 3
Interaction between Permeation Enhancers and Lipid Bilayers
C Kang, M Bernaldez, SD Stamatis, JP Rose, R Sun
The Journal of Physical Chemistry B 128 (7), 1668-1679, 2024
Mandat: US National Institutes of Health
Ultraviolet-Initiated Decomposition of Solid 1, 1-Diamino-2, 2-Dinitroethylene (FOX-7)
AM Turner, JH Marks, JT Lechner, TM Klapötke, R Sun, RI Kaiser
The Journal of Physical Chemistry A 127 (37), 7707-7717, 2023
Mandat: US Department of Defense
Atomistic insight into the lipid nanodomains of synaptic vesicles
C Kang, K Fujioka, R Sun
The Journal of Physical Chemistry B 128 (11), 2707-2716, 2024
Mandat: US National Science Foundation, Natural Sciences and Engineering Research …
Tersedia di suatu tempat: 41
Indirect dynamics in a highly exoergic substitution reaction
J Mikosch, J Zhang, S Trippel, C Eichhorn, R Otto, R Sun, WA De Jong, ...
Journal of the American Chemical Society 135 (11), 4250-4259, 2013
Mandat: German Research Foundation
Direct Dynamics Simulations of the Product Channels and Atomistic Mechanisms for the OH– + CH3I Reaction. Comparison with Experiment
J Xie, R Sun, MR Siebert, R Otto, R Wester, WL Hase
The Journal of Physical Chemistry A 117 (32), 7162-7178, 2013
Mandat: German Research Foundation
Characterization of Leptazolines A–D, Polar Oxazolines from the Cyanobacterium Leptolyngbya sp., Reveals a Glitch with the “Willoughby–Hoye” Scripts for Calculating NMR …
JB Neupane, RP Neupane, Y Luo, WY Yoshida, R Sun, PG Williams
Organic Letters 21 (20), 8449, 2019
Mandat: US National Science Foundation, US Department of Defense, US National …
Simulation studies of the Cl−+ CH3I SN2 nucleophilic substitution reaction: comparison with ion imaging experiments
J Zhang, U Lourderaj, R Sun, J Mikosch, R Wester, WL Hase
The Journal of chemical physics 138 (11), 2013
Mandat: German Research Foundation
Transition-tempered metadynamics is a promising tool for studying the permeation of drug-like molecules through membranes
R Sun, JF Dama, JS Tan, JP Rose, GA Voth
Journal of chemical theory and computation 12 (10), 5157-5169, 2016
Mandat: US National Science Foundation
Molecular transport through membranes: Accurate permeability coefficients from multidimensional potentials of mean force and local diffusion constants
R Sun, Y Han, JMJ Swanson, JS Tan, JP Rose, GA Voth
The Journal of Chemical Physics 149 (7), 2018
Mandat: US National Science Foundation, US National Institutes of Health
Exploring valleys without climbing every peak: more efficient and forgiving metabasin metadynamics via robust on-the-fly bias domain restriction
JF Dama, GM Hocky, R Sun, GA Voth
Journal of chemical theory and computation 11 (12), 5638-5650, 2015
Mandat: US Department of Energy, US National Institutes of Health
Simulating protein mediated hydrolysis of ATP and other nucleoside triphosphates by combining QM/MM molecular dynamics with advances in metadynamics
R Sun, O Sode, JF Dama, GA Voth
Journal of chemical theory and computation 13 (5), 2332-2341, 2017
Mandat: US National Science Foundation, US National Institutes of Health
A chemical dynamics study on the gas-phase formation of triplet and singlet C5H2 carbenes
C He, GR Galimova, Y Luo, L Zhao, AK Eckhardt, R Sun, AM Mebel, ...
Proceedings of the National Academy of Sciences 117 (48), 30142-30150, 2020
Mandat: US Department of Energy
The F−+ CH3I→ FCH3+ I− entrance channel potential energy surface: Comparison of electronic structure methods
R Sun, J Xie, J Zhang, WL Hase
International Journal of Mass Spectrometry 377, 222-227, 2015
Mandat: Chinese Academy of Sciences
Comparison of Cluster, Slab, and Analytic Potential Models for the Dimethyl Methylphosphonate (DMMP)/TiO2(110) Intermolecular Interaction
L Yang, D Tunega, L Xu, N Govind, R Sun, R Taylor, H Lischka, ...
The Journal of Physical Chemistry C 117 (34), 17613-17622, 2013
Mandat: German Research Foundation
A chemical dynamics study on the gas phase formation of thioformaldehyde (H2CS) and its thiohydroxycarbene isomer (HCSH)
S Doddipatla, C He, RI Kaiser, Y Luo, R Sun, GR Galimova, AM Mebel, ...
Proceedings of the National Academy of Sciences 117 (37), 22712-22719, 2020
Mandat: US National Science Foundation, UK Science and Technology Facilities Council
Mycolactone Toxin Membrane Permeation: Atomistic versus Coarse-Grained MARTINI Simulations
F Aydin, R Sun, JMJ Swanson
Biophysical Journal 117 (1), 87, 2019
Mandat: US National Institutes of Health
Direct Dynamics Simulation of Dissociation of the [CH3--I--OH]− Ion–Molecule Complex
J Xie, M McClellan, R Sun, SC Kohale, N Govind, WL Hase
The Journal of Physical Chemistry A 119 (5), 817-825, 2015
Mandat: US Department of Energy
A chemical dynamics study of the reaction of the methylidyne radical (CH, X 2 Π) with dimethylacetylene (CH 3 CCCH 3, X 1 A 1g)
C He, K Fujioka, AA Nikolayev, L Zhao, S Doddipatla, VN Azyazov, ...
Physical Chemistry Chemical Physics 24 (1), 578-593, 2022
Mandat: US Department of Energy
Theoretical Study of the Dynamics of the HBr+ + CO2 → HOCO+ + Br Reaction
Y Luo, K Fujioka, A Shoji, WL Hase, KM Weitzel, R Sun
The Journal of Physical Chemistry A 124 (44), 9119-9127, 2020
Mandat: US National Science Foundation, German Research Foundation
Indirect dynamics in SN 2@ N: insight into the influence of central atoms
X Liu, C Zhao, L Yang, J Zhang, R Sun
Physical Chemistry Chemical Physics 19 (34), 22691-22699, 2017
Mandat: National Natural Science Foundation of China
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