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Tom Woo
Tom Woo
Department of Chemistry and Biomolecular Sciences, University of Ottawa
在 uottawa.ca 的电子邮件经过验证 - 首页
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引用次数
引用次数
年份
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
9632010
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
9452006
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
5302019
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
4642014
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
4411997
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
4332004
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
3662009
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
3552021
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
3351994
Molecular mechanisms for the functionality of lubricant additives
NJ Mosey, MH Muser, TK Woo
Science 307 (5715), 1612-1615, 2005
2772005
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
2732014
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
2562021
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
2271995
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
2162013
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
2041998
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
1862006
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
1831996
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
1631997
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
1591997
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
1572015
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