| Advanced capabilities for materials modelling with Quantum ESPRESSO P Giannozzi, O Andreussi, T Brumme, O Bunau, MB Nardelli, M Calandra, ... Journal of Physics: Condensed Matter 29 (46), 465901, 2017 | 7701 | 2017 |
| Van der Waals density functional: Self-consistent potential and the nature of the van der Waals bond T Thonhauser, VR Cooper, S Li, A Puzder, P Hyldgaard, DC Langreth Physical Review B 76 (12), 125112, 2007 | 1366 | 2007 |
| Transport coefficients from first-principles calculations TJ Scheidemantel, C Ambrosch-Draxl, T Thonhauser, JV Badding, ... Physical Review B 68 (12), 125210, 2003 | 859 | 2003 |
| van der Waals forces in density functional theory: a review of the vdW-DF method K Berland, VR Cooper, K Lee, E Schröder, T Thonhauser, P Hyldgaard, ... Reports on Progress in Physics 78 (6), 066501, 2015 | 849 | 2015 |
| A density functional for sparse matter DC Langreth, BI Lundqvist, SD Chakarova-Käck, VR Cooper, M Dion, ... Journal of Physics: Condensed Matter 21 (8), 084203, 2009 | 649 | 2009 |
| Orbital magnetization in periodic insulators T Thonhauser, D Ceresoli, D Vanderbilt, R Resta Physical review letters 95 (13), 137205, 2005 | 453 | 2005 |
| Stability and Hydrolyzation of Metal Organic Frameworks with Paddle-Wheel SBUs upon Hydration K Tan, N Nijem, P Canepa, Q Gong, J Li, T Thonhauser, YJ Chabal Chemistry of Materials 24 (16), 3153-3167, 2012 | 438 | 2012 |
| Spin Signature of Nonlocal Correlation Binding in Metal-Organic Frameworks T Thonhauser, S Zuluaga, CA Arter, K Berland, E Schröder, P Hyldgaard Physical Review Letters 115 (13), 136402, 2015 | 351 | 2015 |
| Orbital magnetization in crystalline solids: Multi-band insulators, Chern insulators, and metals D Ceresoli, T Thonhauser, D Vanderbilt, R Resta Physical Review B 74 (2), 024408, 2006 | 330 | 2006 |
| Tuning the Gate Opening Pressure of Metal–Organic Frameworks (MOFs) for the Selective Separation of Hydrocarbons N Nijem, H Wu, P Canepa, A Marti, KJ Balkus Jr, T Thonhauser, J Li, ... Journal of the American Chemical Society 134 (37), 15201-15204, 2012 | 322 | 2012 |
| Topologically guided tuning of Zr-MOF pore structures for highly selective separation of C6 alkane isomers H Wang, X Dong, J Lin, SJ Teat, S Jensen, J Cure, EV Alexandrov, Q Xia, ... Nature Communications 9 (1), 1745, 2018 | 316 | 2018 |
| Capture of organic iodides from nuclear waste by metal-organic framework-based molecular traps B Li, X Dong, H Wang, D Ma, K Tan, S Jensen, BJ Deibert, J Butler, J Cure, ... Nature Communications 8 (1), 485, 2017 | 245 | 2017 |
| Thermoelectric properties of Sb 2 Te 3 under pressure and uniaxial stress T Thonhauser, TJ Scheidemantel, JO Sofo, JV Badding, GD Mahan Physical Review B 68 (8), 085201, 2003 | 236 | 2003 |
| Stacking interactions and the twist of DNA VR Cooper, T Thonhauser, A Puzder, E Schröder, BI Lundqvist, ... Journal of the American Chemical Society 130 (4), 1304-1308, 2008 | 220 | 2008 |
| Metal–organic framework based hydrogen-bonding nanotrap for efficient acetylene storage and separation Y Ye, S Xian, H Cui, K Tan, L Gong, B Liang, T Pham, H Pandey, ... Journal of the American Chemical Society 144 (4), 1681-1689, 2021 | 208 | 2021 |
| Insulator/Chern-insulator transition in the Haldane model T Thonhauser, D Vanderbilt Physical Review B 74 (23), 235111, 2006 | 204 | 2006 |
| Competitive Coadsorption of CO2 with H2O, NH3, SO2, NO, NO2, N2, O2, and CH4 in M-MOF-74 (M= Mg, Co, Ni): The Role of Hydrogen Bonding K Tan, S Zuluaga, Q Gong, Y Gao, N Nijem, J Li, T Thonhauser, ... Chemistry of Materials 27 (6), 2203-2217, 2015 | 200 | 2015 |
| Understanding and controlling water stability of MOF-74 S Zuluaga, EMA Fuentes-Fernandez, K Tan, F Xu, J Li, YJ Chabal, ... Journal of Materials Chemistry A 4 (14), 5176-5183, 2016 | 193 | 2016 |
| Water interactions in metal organic frameworks K Tan, N Nijem, Y Gao, S Zuluaga, J Li, T Thonhauser, YJ Chabal CrystEngComm 17 (2), 247-260, 2015 | 192 | 2015 |
| Water Reaction Mechanism in Metal Organic Frameworks with Coordinatively Unsaturated Metal Ions: MOF-74 K Tan, S Zuluaga, Q Gong, P Canepa, H Wang, J Li, YJ Chabal, ... Chemistry of Materials 26 (23), 6886-6895, 2014 | 187 | 2014 |
Jing LiDistinguished Professor of Chemistry, Rutgers University在 rutgers.edu 的电子邮件经过验证