| Mechanism for linear and nonlinear optical effects in crystals J Lin, MH Lee, ZP Liu, C Chen, CJ Pickard Physical Review B 60 (19), 13380, 1999 | 493 | 1999 |
| Water chemisorption and reconstruction of the MgO surface K Refson, RA Wogelius, DG Fraser, MC Payne, MH Lee, V Milman Physical Review B 52 (15), 10823, 1995 | 315 | 1995 |
| Band-resolved analysis of nonlinear optical properties of crystalline and molecular materials MH Lee, CH Yang, JH Jan Physical Review B—Condensed Matter and Materials Physics 70 (23), 235110, 2004 | 287 | 2004 |
| First-principles materials applications and design of nonlinear optical crystals Z Lin, X Jiang, L Kang, P Gong, S Luo, MH Lee Journal of Physics D: Applied Physics 47 (25), 253001, 2014 | 237 | 2014 |
| Distribution of tetrahedral and octahedral A1 sites in gamma alumina MH Lee, CF Cheng, V Heine, J Klinowski Chemical Physics Letters 265 (6), 673-676, 1997 | 218 | 1997 |
| Band gap modification of single-walled carbon nanotube and boron nitride nanotube under a transverse electric field CW Chen, MH Lee, SJ Clark Nanotechnology 15 (12), 1837, 2004 | 216 | 2004 |
| Understanding the catalytic behavior of zeolites: A first-principles study of the adsorption of methanol R Shah, MC Payne, MH Lee, JD Gale Science 271 (5254), 1395-1397, 1996 | 194 | 1996 |
| Experimental and DFT insights of the Zn-doping effects on the visible-light photocatalytic water splitting and dye decomposition over Zn-doped BiOBr photocatalysts J Guo, X Liao, MH Lee, G Hyett, CC Huang, DW Hewak, S Mailis, W Zhou, ... Applied Catalysis B: Environmental 243, 502-512, 2019 | 188 | 2019 |
| Gradient corrections in density functional theory calculations for surfaces: Co on Pd {110} P Hu, DA King, S Crampin, MH Lee, MC Payne Chemical physics letters 230 (6), 501-506, 1994 | 187 | 1994 |
| Orbital mixing in CO chemisorption on transition metal surfaces P Hu, DA King, MH Lee, MC Payne Chemical Physics Letters 246 (1-2), 73-78, 1995 | 159 | 1995 |
| Resolution of an Ancient Surface Science Anomaly: Work Function Change Induced <?format ?>by N Adsorption on A Michaelides, P Hu, MH Lee, A Alavi, DA King Physical review letters 90 (24), 246103, 2003 | 158 | 2003 |
| Simulated pressure-induced blue-shift of phase-matching region and nonlinear optical mechanism for K3B6O10X (X= Cl, Br) B Zhang, MH Lee, Z Yang, Q Jing, S Pan, M Zhang, H Wu, X Su, CS Li Applied Physics Letters 106 (3), 2015 | 140 | 2015 |
| Au on (1 1 1) and (1 1 0) surfaces of CeO2: A density-functional theory study Y Chen, P Hu, MH Lee, H Wang Surface Science 602 (10), 1736-1741, 2008 | 125 | 2008 |
| Mechanism for linear and nonlinear optical effects in and crystals Z Lin, J Lin, Z Wang, C Chen, MH Lee Physical Review B 62 (3), 1757, 2000 | 120 | 2000 |
| Mechanism of linear and nonlinear optical effects of KDP and urea crystals Z Lin, Z Wang, C Chen, MH Lee The Journal of chemical physics 118 (5), 2349-2356, 2003 | 118 | 2003 |
| Mechanism of linear and nonlinear optical effects of chalcopyrite AgGaX2 (X= S, Se, and Te) crystals L Bai, Z Lin, Z Wang, C Chen, MH Lee The Journal of chemical physics 120 (18), 8772-8778, 2004 | 117 | 2004 |
| Molecular Construction Using (C3N3O3)3– Anions: Analysis and Prospect for Inorganic Metal Cyanurates Nonlinear Optical Materials F Liang, L Kang, X Zhang, MH Lee, Z Lin, Y Wu Crystal Growth & Design 17 (7), 4015-4020, 2017 | 116 | 2017 |
| Structural properties of lanthanide and actinide compounds within the plane wave pseudopotential approach CJ Pickard, B Winkler, RK Chen, MC Payne, MH Lee, JS Lin, JA White, ... Physical review letters 85 (24), 5122, 2000 | 115 | 2000 |
| Free energy and entropy of diffusion by ab initio molecular dynamics: Alkali ions in silicon V Milman, MC Payne, V Heine, RJ Needs, JS Lin, MH Lee Physical review letters 70 (19), 2928, 1993 | 108 | 1993 |
| Two pyrophosphates with large birefringences and second‐harmonic responses as ultraviolet nonlinear optical materials X Lu, Z Chen, X Shi, Q Jing, MH Lee Angewandte Chemie 132 (40), 17801-17809, 2020 | 103 | 2020 |
