| Direct observation and quantification of CO2 binding within an amine-functionalized nanoporous solid R Vaidhyanathan, SS Iremonger, GKH Shimizu, PG Boyd, S Alavi, ... Science 330 (6004), 650-653, 2010 | 963 | 2010 |
| Catalytic intermolecular direct arylation of perfluorobenzenes M Lafrance, CN Rowley, TK Woo, K Fagnou Journal of the American Chemical Society 128 (27), 8754-8756, 2006 | 945 | 2006 |
| Data-driven design of metal–organic frameworks for wet flue gas CO2 capture PG Boyd, A Chidambaram, E García-Díez, CP Ireland, TD Daff, R Bounds, ... Nature 576 (7786), 253-256, 2019 | 530 | 2019 |
| ADF2017, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, D Bashford, O Baseggio, ... ADF. Available online: http://www. scm. com (accessed on 20 April 2020), 2014 | 464 | 2014 |
| The role of bulky substituents in Brookhart-type Ni (II) diimine catalyzed olefin polymerization: a combined density functional theory and molecular mechanics study L Deng, TK Woo, L Cavallo, PM Margl, T Ziegler Journal of the American Chemical Society 119 (26), 6177-6186, 1997 | 441 | 1997 |
| Atomic and electronic structure of unreduced and reduced surfaces: A first-principles study Z Yang, TK Woo, M Baudin, K Hermansson The Journal of chemical physics 120 (16), 7741-7749, 2004 | 433 | 2004 |
| Electrostatic potential derived atomic charges for periodic systems using a modified error functional C Campañá, B Mussard, TK Woo Journal of Chemical Theory and Computation 5 (10), 2866-2878, 2009 | 366 | 2009 |
| A scalable metal-organic framework as a durable physisorbent for carbon dioxide capture JB Lin, TTT Nguyen, R Vaidhyanathan, J Burner, JM Taylor, H Durekova, ... Science 374 (6574), 1464-1469, 2021 | 355 | 2021 |
| A density functional study of chain growing and chain terminating steps in olefin polymerization by metallocene and constrained geometry catalysts TK Woo, L Fan, T Ziegler Organometallics 13 (6), 2252-2261, 1994 | 335 | 1994 |
| Molecular mechanisms for the functionality of lubricant additives NJ Mosey, MH Muser, TK Woo Science 307 (5715), 1612-1615, 2005 | 277 | 2005 |
| Rapid and Accurate Machine Learning Recognition of High Performing Metal Organic Frameworks for CO2 Capture M Fernandez, PG Boyd, TD Daff, MZ Aghaji, TK Woo The journal of physical chemistry letters 5 (17), 3056-3060, 2014 | 273 | 2014 |
| Inverse design of nanoporous crystalline reticular materials with deep generative models Z Yao, B Sánchez-Lengeling, NS Bobbitt, BJ Bucior, SGH Kumar, ... Nature Machine Intelligence 3 (1), 76-86, 2021 | 256 | 2021 |
| A density functional study on the origin of the propagation barrier in the homogeneous ethylene polymerization with Kaminsky-type catalysts JCW Lohrenz, TK Woo, T Ziegler Journal of the American Chemical Society 117 (51), 12793-12800, 1995 | 227 | 1995 |
| Large-scale quantitative structure–property relationship (QSPR) analysis of methane storage in metal–organic frameworks M Fernandez, TK Woo, CE Wilmer, RQ Snurr The Journal of Physical Chemistry C 117 (15), 7681-7689, 2013 | 216 | 2013 |
| Implementation of the IMOMM methodology for performing combined QM/MM molecular dynamics simulations and frequency calculations TK Woo, L Cavallo, T Ziegler Theoretical Chemistry Accounts 100, 307-313, 1998 | 204 | 1998 |
| Effects of Zr doping on stoichiometric and reduced ceria: A first-principles study Z Yang, TK Woo, K Hermansson The Journal of chemical physics 124 (22), 2006 | 186 | 2006 |
| Combined Static and Dynamic Density Functional Study of the Ti (IV) Constrained Geometry Catalyst (CpSiH2NH) TiR+. 1. Resting States and Chain Propagation TK Woo, PM Margl, JCW Lohrenz, PE Blöchl, T Ziegler Journal of the American Chemical Society 118 (51), 13021-13030, 1996 | 183 | 1996 |
| A combined Car− Parrinello QM/MM implementation for ab initio molecular dynamics simulations of extended systems: application to transition metal catalysis TK Woo, PM Margl, PE Blöchl, T Ziegler The Journal of Physical Chemistry B 101 (40), 7877-7880, 1997 | 163 | 1997 |
| Static and ab initio molecular dynamics study of the titanium (IV)-constrained geometry catalyst (CpSiH2NH) Ti-R+. 2. Chain termination and long chain branching TK Woo, PM Margl, T Ziegler, PE Blöchl Organometallics 16 (15), 3454-3468, 1997 | 159 | 1997 |
| A single-ligand ultra-microporous MOF for precombustion CO2 capture and hydrogen purification S Nandi, P De Luna, TD Daff, J Rother, M Liu, W Buchanan, AI Hawari, ... Science advances 1 (11), e1500421, 2015 | 157 | 2015 |
Saman AlaviUniversity of Ottawa在 uottawa.ca 的电子邮件经过验证
