Michelle Coote
Title
Cited by
Cited by
Year
Understanding atom transfer radical polymerization: effect of ligand and initiator structures on the equilibrium constants
W Tang, Y Kwak, W Braunecker, NV Tsarevsky, ML Coote, ...
Journal of the American Chemical Society 130 (32), 10702-10713, 2008
5192008
Mechanism and kinetics of dithiobenzoate‐mediated RAFT polymerization. I. The current situation
C Barner‐Kowollik, M Buback, B Charleux, ML Coote, M Drache, ...
Journal of Polymer Science Part A: Polymer Chemistry 44 (20), 5809-5831, 2006
5082006
A universal approach for continuum solvent p K a calculations: are we there yet?
J Ho, ML Coote
Theoretical Chemistry Accounts 125 (1), 3-21, 2010
4412010
Electrostatic catalysis of a Diels–Alder reaction
AC Aragones, NL Haworth, N Darwish, S Ciampi, NJ Bloomfield, ...
Nature 531 (7592), 88-91, 2016
4032016
Comment on the correct use of continuum solvent models
J Ho, A Klamt, ML Coote
The journal of physical chemistry A 114 (51), 13442-13444, 2010
3432010
Computational electrochemistry: prediction of liquid-phase reduction potentials
AV Marenich, J Ho, ML Coote, CJ Cramer, DG Truhlar
Physical Chemistry Chemical Physics 16 (29), 15068-15106, 2014
3322014
Trends in R−X Bond Dissociation Energies (R = Me, Et, i-Pr, t-Bu; X = H, CH3, OCH3, OH, F):  A Surprising Shortcoming of Density Functional Theory
EI Izgorodina, ML Coote, L Radom
The Journal of Physical Chemistry A 109 (33), 7558-7566, 2005
2372005
Ab initio evaluation of the thermodynamic and electrochemical properties of alkyl halides and radicals and their mechanistic implications for atom transfer radical polymerization
CY Lin, ML Coote, A Gennaro, K Matyjaszewski
Journal of the American Chemical Society 130 (38), 12762-12774, 2008
2352008
Adaptable hetero Diels–Alder networks for fast self‐healing under mild conditions
KK Oehlenschlaeger, JO Mueller, J Brandt, S Hilf, A Lederer, M Wilhelm, ...
Advanced Materials 26 (21), 3561-3566, 2014
2182014
Consistent experimental and theoretical evidence for long-lived intermediate radicals in living free radical polymerization
A Feldermann, ML Coote, MH Stenzel, TP Davis, C Barner-Kowollik
Journal of the American Chemical Society 126 (48), 15915-15923, 2004
1892004
The reversible addition‐fragmentation chain transfer process and the strength and limitations of modeling: Comment on “the magnitude of the fragmentation rate coefficient”
C Barner‐Kowollik, ML Coote, TP Davis, L Radom, P Vana
Journal of polymer science part A: polymer chemistry 41 (18), 2828-2832, 2003
1892003
The mechanism of the propagation step in free-radical copolymerisation
ML Coote, TP Davis
Progress in polymer science 24 (9), 1217-1251, 1999
1841999
Ab initio evidence for slow fragmentation in RAFT polymerization
ML Coote, L Radom
Journal of the American Chemical Society 125 (6), 1490-1491, 2003
1752003
Molecular dynamics-driven drug discovery: leaping forward with confidence
A Ganesan, ML Coote, K Barakat
Drug discovery today 22 (2), 249-269, 2017
1682017
Deep learning in chemistry
AC Mater, ML Coote
Journal of chemical information and modeling 59 (6), 2545-2559, 2019
1662019
Benchmark calculations of absolute reduction potential of ferricinium/ferrocene couple in nonaqueous solutions
M Namazian, CY Lin, ML Coote
Journal of chemical theory and computation 6 (9), 2721-2725, 2010
1642010
Ab initio study of the addition− fragmentation equilibrium in raft polymerization: when is polymerization retarded?
ML Coote
Macromolecules 37 (13), 5023-5031, 2004
1602004
Capturing snapshots of post-synthetic metallation chemistry in metal–organic frameworks
WM Bloch, A Burgun, CJ Coghlan, R Lee, ML Coote, CJ Doonan, ...
Nature chemistry 6 (10), 906-912, 2014
1582014
Revising the mechanism of polymer autooxidation
G Gryn'ova, JL Hodgson, ML Coote
Organic & biomolecular chemistry 9 (2), 480-490, 2011
1582011
Reliable theoretical procedures for the calculation of electronic-structure information in hydrogen abstraction reactions
ML Coote
The Journal of Physical Chemistry A 108 (17), 3865-3872, 2004
1572004
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Articles 1–20