| Superhydrophobic conjugated microporous polymers for separation and adsorption A Li, HX Sun, DZ Tan, WJ Fan, SH Wen, XJ Qing, GX Li, SY Li, WQ Deng Energy & Environmental Science 4 (6), 2062-2065, 2011 | 623 | 2011 |
| First-principles investigation of anistropic hole mobilities in organic semiconductors SH Wen, A Li, J Song, WQ Deng, KL Han, WA Goddard III The Journal of Physical Chemistry B 113 (26), 8813-8819, 2009 | 345 | 2009 |
| Quantitative prediction of charge mobilities of π-stacked systems by first-principles simulation SHWKLH Wei-Qiao Deng, Lei Sun, Jin-Dou Huang, Shuo Chai Nature Protocols 10, 632–642, 2015 | 213 | 2015 |
| Boron Carbides as Efficient, Metal‐Free, Visible‐Light‐Responsive Photocatalysts J Liu, S Wen, Y Hou, F Zuo, GJO Beran, P Feng Angewandte Chemie International Edition, 2013 | 157 | 2013 |
| Accurate molecular crystal lattice energies from a fragment QM/MM approach with on-the-fly ab initio force field parametrization S Wen, GJO Beran Journal of Chemical Theory and Computation 7 (11), 3733-3742, 2011 | 155 | 2011 |
| Practical quantum mechanics-based fragment methods for predicting molecular crystal properties S Wen, K Nanda, Y Huang, GJO Beran Physical Chemistry Chemical Physics 14 (21), 7578-7590, 2012 | 152 | 2012 |
| Density functional theory study on electron and hole transport properties of organic pentacene derivatives with electron‐withdrawing substituent S Chai, SH Wen, JD Huang, KL Han Journal of computational chemistry 32 (15), 3218-3225, 2011 | 139 | 2011 |
| Simulation of hole mobility in α-oligofuran crystals JD Huang, SH Wen, WQ Deng, KL Han The Journal of Physical Chemistry B 115 (10), 2140-2147, 2011 | 108 | 2011 |
| Accidental degeneracy in crystalline aspirin: New insights from high-level ab initio calculations S Wen, GJO Beran Crystal growth & design 12 (5), 2169-2172, 2012 | 79 | 2012 |
| Preparation of poly (acrylic acid)–graphite oxide superabsorbent nanocomposites ZQ Zhu, HX Sun, XJ Qin, L Jiang, CJ Pei, L Wang, YQ Zeng, SH Wen, ... Journal of Materials Chemistry 22 (11), 4811-4817, 2012 | 76 | 2012 |
| Overcoming the difficulties of predicting conformational polymorph energetics in molecular crystals via correlated wavefunction methods C Greenwell, JL McKinley, P Zhang, Q Zeng, G Sun, B Li, S Wen, ... Chemical science 11 (8), 2200-2214, 2020 | 66 | 2020 |
| Crystal polymorphism in oxalyl dihydrazide: Is empirical DFT-D accurate enough? S Wen, GJO Beran Journal of Chemical Theory and Computation 8 (8), 2698-2705, 2012 | 65 | 2012 |
| Harnessing cloud architecture for crystal structure prediction calculations P Zhang, GPF Wood, J Ma, M Yang, Y Liu, G Sun, YA Jiang, BC Hancock, ... Crystal Growth & Design 18 (11), 6891-6900, 2018 | 62 | 2018 |
| Understanding electron-withdrawing substituent effect on structural, electronic and charge transport properties of perylene bisimide derivatives S Chai, SH Wen, KL Han Organic electronics 12 (11), 1806-1814, 2011 | 60 | 2011 |
| Revealing quantitative structure–activity relationships of transport properties in acene and acene derivative organic materials SH Wen, WQ Deng, KL Han Physical Chemistry Chemical Physics 12 (32), 9267-9275, 2010 | 60 | 2010 |
| Ultra-low resistance at TTF–TCNQ organic interfaces S Wen, WQ Deng, KL Han Chemical Communications 46 (28), 5133-5135, 2010 | 55 | 2010 |
| Endohedral BN Metallofullerene M@B36N36 Complex As Promising Hydrogen Storage Materials SH Wen, WQ Deng, KL Han The Journal of Physical Chemistry C 112 (32), 12195-12200, 2008 | 50 | 2008 |
| Aryl/hetero-arylethyne bridged dyes: the effect of planar π-bridge on the performance of dye-sensitized solar cells JL Song, P Amaladass, SH Wen, KK Pasunooti, A Li, YL Yu, X Wang, ... New Journal of Chemistry 35 (1), 127-136, 2011 | 49 | 2011 |
| Accurate and robust molecular crystal modeling using fragment-based electronic structure methods GJO Beran, S Wen, K Nanda, Y Huang, Y Heit Prediction and calculation of crystal structures: methods and applications …, 2014 | 45 | 2014 |
| Prediction of the relative free energies of drug polymorphs above zero kelvin M Yang, E Dybeck, G Sun, C Peng, B Samas, VM Burger, Q Zeng, Y Jin, ... Crystal Growth & Design 20 (8), 5211-5224, 2020 | 43 | 2020 |