| DFT reinvestigation of DNA strand breaks induced by electron attachment HY Chen, PY Yang, HF Chen, CL Kao, LW Liao The Journal of Physical Chemistry B 118 (38), 11137-11144, 2014 | 41 | 2014 |
| Molecular dynamics simulations of PAMAM dendrimer-encapsulated Au nanoparticles of different sizes under different pH conditions PY Yang, SP Ju, YC Chuang, HY Chen Computational Materials Science 137, 144-152, 2017 | 27 | 2017 |
| Predicted structural and mechanical properties of activated carbon by molecular simulation PY Yang, SP Ju, SM Huang Computational Materials Science 143, 43-54, 2018 | 26 | 2018 |
| Theoretical Study of the Protonation of the One-Electron-Reduced Guanine–Cytosine Base Pair by Water SCN Hsu, TP Wang, CL Kao, HF Chen, PY Yang, HY Chen The Journal of Physical Chemistry B 117 (7), 2096-2105, 2013 | 22 | 2013 |
| The diffusion behavior and capacitance of tetraethylammonium/tetrafluoroborate ions in acetonitrile with different molar concentrations: a molecular dynamics study PY Yang, SP Ju, HS Hsieh, JS Lin RSC advances 7 (87), 55044-55050, 2017 | 19 | 2017 |
| Interaction of electrons with cisplatin and the subsequent effect on DNA damage: a density functional theory study HY Chen, HF Chen, CL Kao, PY Yang, SCN Hsu Physical Chemistry Chemical Physics 16 (36), 19290-19297, 2014 | 16 | 2014 |
| An efficient and reversible battery anode electrode derived from a lead-based metal–organic framework F Baskoro, HQ Wong, KB Labasan, CW Cho, CW Pao, PY Yang, ... Energy & Fuels 35 (11), 9669-9682, 2021 | 15 | 2021 |
| Molecular simulations of the microstructure evolution of solid electrolyte interphase during cyclic charging/discharging PY Yang, CW Pao ACS Applied Materials & Interfaces 13 (4), 5017-5027, 2021 | 13 | 2021 |
| Catalytic polymerization of naphthalene by HF/BF 3 super acid: an ab initio density functional theory study PY Yang, HY Chen, SP Ju, CL Chang, GS Leu, CH Lin Physical Chemistry Chemical Physics 20 (36), 23311-23319, 2018 | 13 | 2018 |
| Understanding the carbon-monoxide oxidation mechanism on ultrathin palladium nanowires: a density functional theory study PY Yang, SP Ju, ZM Lai, JS Lin, JY Hsieh Nanoscale 8 (4), 2041-2045, 2016 | 12 | 2016 |
| Electrolytic molecule in-pore structure and capacitance of supercapacitors with nanoporous carbon electrodes: A coarse-grained molecular dynamics study PY Yang, SP Ju, HS Hsieh, JS Lin, JY Hsieh Computational Materials Science 166, 293-302, 2019 | 11 | 2019 |
| Predicting mechanical properties of polyvinylidene fluoride/carbon nanotube composites by molecular simulation HL Chen, CH Su, SP Ju, HY Chen, JS Lin, JY Hsieh, PY Yang, CY Lin Materials Research Express 4 (11), 115025, 2017 | 10 | 2017 |
| The mechanical properties and thermal stability of ultrathin germanium nanowires PY Yang, SP Ju, ZM Lai, JY Hsieh, JS Lin RSC advances 6 (107), 105713-105722, 2016 | 9 | 2016 |
| Investigation on the structural and thermal behaviors of poly (amidoamine) dendrimer-encapsulated Au nanoparticles of different sizes HL Chen, CH Su, SP Ju, YC Chuang, PY Yang, HY Chen, HT Chen Industrial & Engineering Chemistry Research 54 (46), 11560-11567, 2015 | 8 | 2015 |
| Long-lifespan lithium–metal batteries obtained using a perovskite intercalation layer to stabilize the lithium electrode N Kaisar, A Singh, PY Yang, YT Chen, S Li, CW Pao, S Jou, CW Chu Journal of Materials Chemistry A 8 (18), 9137-9145, 2020 | 6 | 2020 |
| Electronic and structural properties of ultrathin germanium nanowires by density functional theory calculations SJ Sun, PY Yang, SP Ju, ZM Lai Journal of Applied Physics 120 (19), 2016 | 6 | 2016 |
| Theoretical evidence of barrier-free proton transfer in 7-azaindole-water cluster anions HY Chen, PY Young, SCN Hsu The Journal of chemical physics 130 (16), 2009 | 5 | 2009 |
| Comparative Study of the Orientation and Order Effects on the Thermoelectric Performance of 2D and 3D Perovskites YH Wang, CH Yeh, IT Hsieh, PY Yang, YW Hsiao, HT Wu, CW Pao, ... Nanomaterials 14 (5), 446, 2024 | 1 | 2024 |
| Hybrid Machine Learning-Enabled Potential Energy Model for Atomistic Simulation of Lithium Intercalation into Graphite from Plating to Overlithiation PY Yang, YH Chiang, CW Pao, CC Chang Journal of Chemical Theory and Computation 19 (14), 4533-4545, 2023 | 1 | 2023 |
| Lattice distortion enabling enhanced strength and plasticity in high entropy intermetallic alloy H Wang, PY Yang, WJ Zhao, SH Ma, JH Hou, QF He, CL Wu, HA Chen, ... Nature Communications 15 (1), 6782, 2024 | | 2024 |
SHIN-PON JUNational Sun Yat-sen University在 mail.nsysu.edu.tw 的电子邮件经过验证
