Tom Woo
Tom Woo
Department of Chemistry and Biomolecular Sciences, University of Ottawa
Verifierad e-postadress på uottawa.ca - Startsida
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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
7962010
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
7722006
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
3981997
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
3572004
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
3241994
ADF2013, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands
EJ Baerends, T Ziegler, J Autschbach, D Bashford, A Bérces, ...
URL: http://www. scm. com, 2014
2652014
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
2382009
Molecular mechanisms for the functionality of lubricant additives
NJ Mosey, MH Müser, TK Woo
Science 307 (5715), 1612-1615, 2005
2252005
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
2221995
SCM, theoretical chemistry
EJ Baerends, T Ziegler, J Autschbach, D Bashford, A Bérces, ...
ADF2012 1, 2013
1962013
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 (5-6), 307-313, 1998
1871998
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
1711996
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
1511997
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), 224704, 2006
1502006
A density functional study of ethylene insertion into the M-CH3 bond of the constrained geometry catalysts [(SiH2-C5H4-NH) MCH3]+(M= Ti, Zr, Hf) and (SiH2-C5H4-NH) TiCH3
L Fan, D Harrison, TK Woo, T Ziegler
Organometallics 14 (4), 2018-2026, 1995
1371995
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
1332014
A density functional study on the insertion mechanism and chain termination in Kaminsky-type catalysts; comparison of frontside and backside attack
JCW Lohrenz, TK Woo, L Fan, T Ziegler
Journal of organometallic chemistry 497 (1-2), 91-104, 1995
1321995
Competition and Cooperativity in Carbon Dioxide Sorption by Amine‐Functionalized Metal–Organic Frameworks
R Vaidhyanathan, SS Iremonger, GKH Shimizu, PG Boyd, S Alavi, ...
Angewandte Chemie 124 (8), 1862-1865, 2012
1252012
Density functional study of the insertion step in olefin polymerization by metallocene and constrained-geometry catalysts
TK Woo, L Fan, T Ziegler
Organometallics 13 (2), 432-433, 1994
1251994
Strong and weak adsorption of CO on CeO2 surfaces from first principles calculations
Z Yang, TK Woo, K Hermansson
Chemical physics letters 396 (4-6), 384-392, 2004
1242004
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Artiklar 1–20