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Michelle Louise Coote, PhD BSc(Hons) - Publications

Affiliations: 
1991-1999 Chemical Engineering University of New South Wales (Australia), Kensington, New South Wales, Australia 
 1999-2001 Chemistry University of Durham (United Kingdom) 
 2001- Research School of Chemistry Australian National University, Acton, Australian Capital Territory, Australia 
Area:
chemistry
Website:
http://rsc.anu.edu.au/~mcoote/index.html
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278 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Jiang S, Xie Y, Xie Y, Yu LJ, Yan X, Zhao FG, Mudugamuwa CJ, Coote ML, Jia Z, Zhang K. Lewis Acid-Induced Reversible Disproportionation of TEMPO Enables Aqueous Aluminum Radical Batteries. Journal of the American Chemical Society. PMID 37350446 DOI: 10.1021/jacs.3c04203  0.64
2023 Low K, Coote ML, Izgorodina EI. Accurate Prediction of Three-Body Intermolecular Interactions via Electron Deformation Density-Based Machine Learning. Journal of Chemical Theory and Computation. 19: 1466-1475. PMID 36787280 DOI: 10.1021/acs.jctc.2c00984  0.577
2022 Delaney AR, Yu LJ, Doan V, Coote ML, Colebatch AL. Bimetallic Nickel Complexes Supported by a Planar Macrocyclic Diphosphoranide Ligand. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 36545819 DOI: 10.1002/chem.202203940  0.593
2022 Blyth MT, Coote ML. Manipulation of N-heterocyclic carbene reactivity with practical oriented electric fields. Physical Chemistry Chemical Physics : Pccp. 25: 375-383. PMID 36477310 DOI: 10.1039/d2cp04507a  0.765
2022 Low K, Coote ML, Izgorodina EI. Explainable Solvation Free Energy Prediction Combining Graph Neural Networks with Chemical Intuition. Journal of Chemical Information and Modeling. PMID 36317829 DOI: 10.1021/acs.jcim.2c01013  0.597
2022 Belotti M, El-Tahawy MMT, Yu LJ, Russell IC, Darwish N, Coote ML, Garavelli M, Ciampi S. Luciferase-free Luciferin Electrochemiluminescence. Angewandte Chemie (International Ed. in English). PMID 36169114 DOI: 10.1002/anie.202209670  0.612
2022 Fan YM, Yu LJ, Gardiner MG, Coote ML, Sherburn M. Enantioselective oxa-Diels-Alder Sequences of Dendralenes. Angewandte Chemie (International Ed. in English). PMID 35900232 DOI: 10.1002/anie.202204872  0.616
2022 Low K, Coote ML, Izgorodina EI. Inclusion of More Physics Leads to Less Data: Learning the Interaction Energy as a Function of Electron Deformation Density with Limited Training Data. Journal of Chemical Theory and Computation. 18: 1607-1618. PMID 35175045 DOI: 10.1021/acs.jctc.1c01264  0.568
2022 Tang M, Cameron L, Poland EM, Yu LJ, Moggach SA, Fuller RO, Huang H, Sun J, Thickett SC, Massi M, Coote ML, Ho CC, Bissember AC. Photoactive Metal Carbonyl Complexes Bearing N-Heterocyclic Carbene Ligands: Synthesis, Characterization, and Viability as Photoredox Catalysts. Inorganic Chemistry. PMID 35025492 DOI: 10.1021/acs.inorgchem.1c02964  0.639
2022 Wang JYJ, Blyth MT, Sherburn MS, Coote ML. Tuning Photoenolization-Driven Cycloadditions Using Theory and Spectroscopy. Journal of the American Chemical Society. 144: 1023-1033. PMID 34991316 DOI: 10.1021/jacs.1c12174  0.79
2021 Belotti M, Lyu X, Xu L, Halat P, Darwish N, Silvester DS, Goh C, Izgorodina EI, Coote ML, Ciampi S. Experimental Evidence of Long-Lived Electric Fields of Ionic Liquid Bilayers. Journal of the American Chemical Society. PMID 34657417 DOI: 10.1021/jacs.1c06385  0.697
2021 Mater AC, Coote ML. Explainable Molecular Sets: Using Information Theory to Generate Meaningful Descriptions of Groups of Molecules. Journal of Chemical Information and Modeling. 61: 4877-4889. PMID 34636543 DOI: 10.1021/acs.jcim.1c00519  0.752
2021 Maddigan-Wyatt JT, Blyth MT, Ametovski J, Coote ML, Hooper JF, Lupton DW. Redox Isomerization/(3+2) Allenoate Annulation by Auto-Tandem Phosphine Catalysis. Chemistry (Weinheim An Der Bergstrasse, Germany). 27: 16232-16236. PMID 34596926 DOI: 10.1002/chem.202103224  0.771
2021 Yu LJ, Cullen DA, Morshedi M, Coote ML, White NG. Room Temperature Hydrolysis of Benzamidines and Benzamidiniums in Weakly Basic Water. The Journal of Organic Chemistry. PMID 34549965 DOI: 10.1021/acs.joc.1c01955  0.616
2021 Pijning A, Blyth M, Coote M, Passam FH, Chiu J, Hogg P. An alternate covalent form of platelet αIIbβ3 integrin that resides in focal adhesions and has altered function. Blood. PMID 34375384 DOI: 10.1182/blood.2021012441  0.756
2021 Delaney AR, Yu LJ, Coote ML, Colebatch AL. Synthesis of an expanded pincer ligand and its bimetallic coinage metal complexes. Dalton Transactions (Cambridge, England : 2003). PMID 34374394 DOI: 10.1039/d1dt01741a  0.577
2021 Izadi F, Arthur-Baidoo E, Strover LT, Yu LJ, Coote ML, Moad G, Denifl S. Selective bond cleavage in RAFT agents promoted by low-energy electron attachment. Angewandte Chemie (International Ed. in English). PMID 34214239 DOI: 10.1002/anie.202107480  0.66
2021 Fung AKK, Yu LJ, Sherburn MS, Coote ML. Atom Transfer Radical Polymerization-Inspired Room Temperature (sp)C-N Coupling. The Journal of Organic Chemistry. PMID 34181425 DOI: 10.1021/acs.joc.1c01029  0.629
2021 Yu LJ, Coote ML. Electrostatic Switching of Stereoselectivity in Aldol Reactions. The Journal of Organic Chemistry. PMID 34121399 DOI: 10.1021/acs.joc.1c01032  0.638
2021 Goodwin RJ, Blyth MT, Fung AKK, Smith LM, Norcott PL, Tanovic S, Coote ML, White NG. Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures. Organic & Biomolecular Chemistry. PMID 33720236 DOI: 10.1039/d1ob00282a  0.791
2021 Marlton SJP, McKinnon BI, Hill NS, Coote ML, Trevitt AJ. Electrostatically Tuning the Photodissociation of the Irgacure 2959 Photoinitiator in the Gas Phase by Cation Binding. Journal of the American Chemical Society. PMID 33427467 DOI: 10.1021/jacs.0c11978  0.477
2020 Vogel YB, Evans CW, Belotti M, Xu L, Russell IC, Yu LJ, Fung AKK, Hill NS, Darwish N, Gonçales VR, Coote ML, Swaminathan Iyer K, Ciampi S. The corona of a surface bubble promotes electrochemical reactions. Nature Communications. 11: 6323. PMID 33303749 DOI: 10.1038/s41467-020-20186-0  0.768
2020 Rogers FJM, Norcott PL, Coote ML. Recent advances in the chemistry of benzo[][1,2,4]triazinyl radicals. Organic & Biomolecular Chemistry. PMID 33001120 DOI: 10.1039/d0ob01394c  0.789
2020 Bathellier C, Yu LJ, Farquhar GD, Coote ML, Lorimer GH, Tcherkez G. Ribulose 1,5-bisphosphate carboxylase/oxygenase activates O by electron transfer. Proceedings of the National Academy of Sciences of the United States of America. PMID 32934141 DOI: 10.1073/Pnas.2008824117  0.636
2020 Boer SA, Yu LJ, Genet TL, Low K, Cullen DA, Gardiner MG, Coote ML, White NG. What's in an atom? A comparison of carbon and silicon-centered amidinium···carboxylate frameworks. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 32924234 DOI: 10.1002/Chem.202003791  0.653
2020 Stewart SG, Harfoot GJ, McRae KJ, Teng Y, Yu LJ, Chen B, Cammi R, Coote ML, Banwell MG, Willis AC. High-Pressure-Promoted and Facially Selective Diels-Alder Reactions of Enzymatically Derived cis-1,2-Dihydrocatechols and their Acetonide Derivatives. Enantiodivergent Routes to Homochiral and Polyfunctionalized Bicyclo[2.2.2]octenes. The Journal of Organic Chemistry. PMID 32914974 DOI: 10.1021/Acs.Joc.0C01767  0.67
2020 Hill NS, Coote ML. Rational design of photo-cleavable alkoxyamines for polymerization and synthesis. Physical Chemistry Chemical Physics : Pccp. PMID 32830210 DOI: 10.1039/D0Cp02924F  0.57
2020 Xu L, Izgorodina EI, Coote ML. Ordered Solvents and Ionic Liquids Can be Harnessed for Electrostatic Catalysis. Journal of the American Chemical Society. PMID 32610899 DOI: 10.1021/Jacs.0C05643  0.748
2020 Rogers FJM, Noble BB, Coote ML. Computational Optimization of Alkoxyamine-Based Electrochemical Methylation. The Journal of Physical Chemistry. A. PMID 32603110 DOI: 10.1021/Acs.Jpca.0C05169  0.805
2020 Doan V, Noble BB, Coote ML. Electrostatic Activation of Tetrazoles. The Journal of Organic Chemistry. PMID 32602719 DOI: 10.1021/Acs.Joc.0C01354  0.742
2020 Zhang J, Su C, Rogers FJM, Darwish N, Coote ML, Ciampi S. Irreproducibility in the triboelectric charging of insulators: evidence of a non-monotonic charge versus contact time relationship. Physical Chemistry Chemical Physics : Pccp. PMID 32406440 DOI: 10.1039/D0Cp01317J  0.772
2020 Zhang J, Lalevée J, Hill NS, Kiehl J, Zhu D, Cox N, Langley J, Stenzel MH, Coote ML, Xiao P. Substituent Effects on Photoinitiation Ability of Monoaminoanthraquinone-Based Photoinitiating Systems for Free Radical Photopolymerization under LEDs. Macromolecular Rapid Communications. e2000166. PMID 32383502 DOI: 10.1002/Marc.202000166  0.552
2020 Nothling MD, Xiao Z, Hill NS, Blyth MT, Bhaskaran A, Sani MA, Espinosa-Gomez A, Ngov K, White J, Buscher T, Separovic F, O'Mara ML, Coote ML, Connal LA. A multifunctional surfactant catalyst inspired by hydrolases. Science Advances. 6: eaaz0404. PMID 32270041 DOI: 10.1126/Sciadv.Aaz0404  0.782
2020 Nikahd M, Mikusek J, Yu LJ, Coote ML, Banwell MG, Ma C, Gardiner MG. Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small Molecule Hetero- and Carbo-Cyclic Pyrolysis Products. The Journal of Organic Chemistry. PMID 32019306 DOI: 10.1021/Acs.Joc.9B03438  0.631
2020 Abreu CMR, Rezende TC, Fonseca AC, Guliashvili T, Bergerbit C, D’Agosto F, Yu L, Serra AC, Coote ML, Coelho JFJ. Polymerization of Vinyl Chloride at Ambient Temperature Using Macromolecular Design via the Interchange of Xanthate: Kinetic and Computational Studies Macromolecules. 53: 190-202. DOI: 10.1021/Acs.Macromol.9B01949  0.332
2020 Hill NS, Fule MJ, Morris J, Clément J, Guillaneuf Y, Gigmes D, Coote ML. Mesolytic Versus Homolytic Cleavage in Photochemical Nitroxide-Mediated Polymerization Macromolecules. 53: 1567-1572. DOI: 10.1021/Acs.Macromol.0C00134  0.596
2020 Noble BB, Coote ML. Isotactic Regulation in the Radical Polymerization of Calcium Methacrylate: Is Multiple Chelation the Key to Stereocontrol? Journal of Polymer Science Part A. 58: 52-61. DOI: 10.1002/Pola.29324  0.69
2019 Noble BB, Nesvadba P, Coote ML. Mechanistic Insights into N-Acyloxyamine-Initiated Controlled Degradation of Polypropylene: The Unexpected Role of Keto-Enol Tautomerization in Carboxylate Radical Chemistry. The Journal of Organic Chemistry. PMID 31860796 DOI: 10.1021/Acs.Joc.9B03052  0.737
2019 Xu L, Coote ML. Correction to Improving the Accuracy of PCM-UAHF and PCM-UAKS Calculations Using Optimized Electrostatic Scaling Factors. Journal of Chemical Theory and Computation. PMID 31859497 DOI: 10.1021/Acs.Jctc.9B01191  0.568
2019 Blyth MT, Noble BB, Russell IC, Coote ML. Oriented Internal Electrostatic Fields Cooperatively Promote Ground & Excited State Reactivity: A Case Study in Photochemical CO2 Capture. Journal of the American Chemical Society. PMID 31829574 DOI: 10.1021/Jacs.9B12186  0.794
2019 Doan V, Noble BB, Fung AKK, Coote ML. Rational Design of Highly Activating Ligands for Cu-based Atom Transfer Radical Polymerization. The Journal of Organic Chemistry. PMID 31693364 DOI: 10.1021/Acs.Joc.9B02915  0.714
2019 Xu L, Coote ML. Improving the Accuracy of PCM-UAHF and PCM-UAKS Calculations Using Optimized Electrostatic Scaling Factors. Journal of Chemical Theory and Computation. PMID 31657916 DOI: 10.1021/Acs.Jctc.9B00888  0.616
2019 Norcott PL, Hammill CL, Noble BB, Robertson JC, Olding A, Bissember AC, Coote ML. TEMPO-Me: An Electrochemically Activated Methylating Agent. Journal of the American Chemical Society. PMID 31483627 DOI: 10.1021/Jacs.9B08634  0.782
2019 Xu L, Coote ML. Methods to Improve the Calculations of SMD Solvation Free Energies and Associated Aqueous pKa Values: Comparison between Choosing an Optimal Theoretical Level, Solute Cavity Scaling and Using Explicit Solvent Molecules. The Journal of Physical Chemistry. A. PMID 31382743 DOI: 10.1021/Acs.Jpca.9B04920  0.63
2019 Zhang J, Lalevée J, Hill NS, Peng X, Zhu D, Kiehl J, Morlet-Savary F, Stenzel MH, Coote ML, Xiao P. Photoinitiation Mechanism and Ability of Monoamino-Substituted Anthraquinone Derivatives as Cationic Photoinitiators of Polymerization under LEDs. Macromolecular Rapid Communications. e1900234. PMID 31210405 DOI: 10.1002/Marc.201900234  0.535
2019 Mater AC, Coote ML. Deep Learning in Chemistry. Journal of Chemical Information and Modeling. 59: 2545-2559. PMID 31194543 DOI: 10.1021/Acs.Jcim.9B00266  0.75
2019 Fang C, Fantin M, Pan X, de Fiebre K, Coote ML, Matyjaszewski K, Liu P. Mechanistically Guided Predictive Models for Ligand and Initiator Effects in Copper-Catalyzed Atom Transfer Radical Polymerization (Cu-ATRP). Journal of the American Chemical Society. PMID 30977644 DOI: 10.1021/Jacs.9B02158  0.336
2019 Zhang J, Rogers F, Darwish N, Gonçales VR, Vogel YB, Wang F, Gooding JJ, Peiris MC, Jia G, Veder JP, Coote ML, Ciampi S. Electrochemistry on tribocharged polymers is governed by the stability of surface charges rather than charging magnitude. Journal of the American Chemical Society. PMID 30884944 DOI: 10.1021/Jacs.9B00297  0.776
2019 Blyth MT, Coote ML. A pH-Switchable Electrostatic Catalyst for the Diels-Alder Reaction: Progress Towards Synthetically-Viable Electrostatic Catalysis. The Journal of Organic Chemistry. PMID 30624072 DOI: 10.1021/Acs.Joc.8B02940  0.797
2019 Hill NS, Coote ML. Strategies for Red-Shifting Type I Photoinitiators: Internal Electric Fields versus Lewis Acids versus Increasing Conjugation* Australian Journal of Chemistry. 72: 627-632. DOI: 10.1071/Ch19262  0.526
2019 Nothling MD, Xiao Z, Bhaskaran A, Blyth MT, Bennett CW, Coote ML, Connal LA. Synthetic Catalysts Inspired by Hydrolytic Enzymes Acs Catalysis. 9: 168-187. DOI: 10.1021/Acscatal.8B03326  0.759
2019 Matioszek D, Mazières S, Brusylovets O, Lin CY, Coote ML, Destarac M, Harrisson S. Experimental and Theoretical Comparison of Addition–Fragmentation Pathways of Diseleno- and Dithiocarbamate RAFT Agents Macromolecules. 52: 3376-3386. DOI: 10.1021/Acs.Macromol.9B00214  0.619
2019 Rogers FJM, Coote ML. Computational Assessment of Verdazyl Derivatives for Electrochemical Generation of Carbon-Centered Radicals Journal of Physical Chemistry C. 123: 20174-20180. DOI: 10.1021/Acs.Jpcc.9B06288  0.805
2019 Rogers FJM, Coote ML. Computational Evaluation of the Oxidative Cleavage of Triazine Derivatives for Electrosynthesis Journal of Physical Chemistry C. 123: 10306-10310. DOI: 10.1021/Acs.Jpcc.9B02272  0.801
2019 Noble BB, Norcott PL, Hammill CL, Ciampi S, Coote ML. Mechanism of Oxidative Alkoxyamine Cleavage: The Surprising Role of the Solvent and Supporting Electrolyte Journal of Physical Chemistry C. 123: 10300-10305. DOI: 10.1021/Acs.Jpcc.9B01832  0.778
2019 Hammill CL, Noble BB, Norcott PL, Ciampi S, Coote ML. Effect of Chemical Structure on the Electrochemical Cleavage of Alkoxyamines Journal of Physical Chemistry C. 123: 5273-5281. DOI: 10.1021/Acs.Jpcc.8B12545  0.784
2019 Marshall DL, Gryn’ova G, Poad BL, Bottle SE, Trevitt AJ, Coote ML, Blanksby SJ. Experimental evidence for long-range stabilizing and destabilizing interactions between charge and radical sites in distonic ions International Journal of Mass Spectrometry. 435: 195-203. DOI: 10.1016/J.Ijms.2018.10.031  0.373
2019 Crisp AL, Noble B, Schwartz BD, Willis AC, Coote ML, Banwell MG. Front Cover: The Synthesis, Structural Characterisation and Chemical Manipulation of the [6+3] Cycloadduct Derived from α‐Tropolone O ‐Methyl Ether and Trimethylenemethane (Asian J. Org. Chem. 8/2019) Asian Journal of Organic Chemistry. 8: 1141-1141. DOI: 10.1002/Ajoc.201900404  0.688
2019 Crisp AL, Noble B, Schwartz BD, Willis AC, Coote ML, Banwell MG. The Synthesis, Structural Characterisation and Chemical Manipulation of the [6+3] Cycloadduct Derived from α‐Tropolone O ‐Methyl Ether and Trimethylenemethane Asian Journal of Organic Chemistry. 8: 1458-1467. DOI: 10.1002/Ajoc.201900334  0.686
2018 Yu LJ, Coote ML. Electrostatic Switching between S1 and S2 Pathways. The Journal of Physical Chemistry. A. PMID 30566349 DOI: 10.1021/Acs.Jpca.8B11579  0.669
2018 Hill NS, Coote ML. Internal Oriented Electric Fields as a Strategy for Selectively Modifying Photochemical Reactivity. Journal of the American Chemical Society. PMID 30468576 DOI: 10.1021/Jacs.8B12009  0.529
2018 Sharp PP, Mikusek J, Ho J, Krenske EH, Banwell MG, Coote ML, Ward JS, Willis AC. Mechanistic Studies on the Base-Promoted Conversion of Alkoxy-Substituted, Ring-Fused gem-Dihalocyclopropanes into Furans: Evidence for a Process Involving Electrocyclic Ring Closure of a Carbonyl Ylide Intermediate. The Journal of Organic Chemistry. PMID 30281974 DOI: 10.1021/Acs.Joc.8B01766  0.748
2018 Hong NS, Petrović D, Lee R, Gryn'ova G, Purg M, Saunders J, Bauer P, Carr PD, Lin CY, Mabbitt PD, Zhang W, Altamore T, Easton C, Coote ML, Kamerlin SCL, et al. The evolution of multiple active site configurations in a designed enzyme. Nature Communications. 9: 3900. PMID 30254369 DOI: 10.1038/S41467-018-06305-Y  0.77
2018 Huang Z, Noble BB, Corrigan N, Chu Y, Satoh K, Thomas DS, Hawker CJ, Moad G, Kamigaito M, Coote ML, Boyer C, Xu J. Discrete and Stereospecific Oligomers Prepared by Sequential and Alternating Single Unit Monomer Insertion. Journal of the American Chemical Society. PMID 30230329 DOI: 10.1021/Jacs.8B08386  0.713
2018 Smith LM, Aitken HM, Coote ML. The Fate of the Peroxyl Radical in Autoxidation: How Does Polymer Degradation Really Occur? Accounts of Chemical Research. PMID 30016062 DOI: 10.1021/Acs.Accounts.8B00250  0.634
2018 Ciampi S, Darwish N, Aitken HM, Díez-Pérez I, Coote ML. Harnessing electrostatic catalysis in single molecule, electrochemical and chemical systems: a rapidly growing experimental tool box. Chemical Society Reviews. PMID 29947390 DOI: 10.1039/C8Cs00352A  0.362
2018 Zhang J, Hill N, Lalevée J, Fouassier JP, Zhao J, Graff B, Schmidt TW, Kable SH, Stenzel MH, Coote ML, Xiao P. Multihydroxy-Anthraquinone Derivatives as Free Radical and Cationic Photoinitiators of Various Photopolymerizations under Green LED. Macromolecular Rapid Communications. e1800172. PMID 29676024 DOI: 10.1002/Marc.201800172  0.572
2018 Zhang K, Noble BB, Mater AC, Monteiro MJ, Coote ML, Jia Z. Effect of heteroatom and functionality substitution on the oxidation potential of cyclic nitroxide radicals: role of electrostatics in electrochemistry. Physical Chemistry Chemical Physics : Pccp. PMID 29319074 DOI: 10.1039/C7Cp07444A  0.808
2018 Zhu B, Lee R, Yin Y, Li F, Coote ML, Jiang Z. Enantioselective Vinylogous Amination of 5-Alkyl-4-nitroisoxazoles with a Dipeptide-Based Guanidinium Phase-Transfer Catalyst. Organic Letters. PMID 29293006 DOI: 10.1021/Acs.Orglett.7B03759  0.656
2018 Zhang J, Launay K, Hill NS, Zhu D, Cox N, Langley J, Lalevée J, Stenzel MH, Coote ML, Xiao P. Disubstituted Aminoanthraquinone-Based Photoinitiators for Free Radical Polymerization and Fast 3D Printing under Visible Light Macromolecules. 51: 10104-10112. DOI: 10.1021/Acs.Macromol.8B02145  0.53
2018 Zhang J, Lalevée J, Hill NS, Launay K, Morlet-Savary F, Graff B, Stenzel MH, Coote ML, Xiao P. Disubstituted Aminoanthraquinone-Based Multicolor Photoinitiators: Photoinitiation Mechanism and Ability of Cationic Polymerization under Blue, Green, Yellow, and Red LEDs Macromolecules. 51: 8165-8173. DOI: 10.1021/Acs.Macromol.8B01763  0.523
2017 Zhang L, Laborda E, Darwish N, Noble BB, Tyrell JH, Pluczyk S, Le Brun AP, Wallace GG, Gonzalez J, Coote ML, Ciampi S. Electrochemical and Electrostatic Cleavage of Alkoxyamines. Journal of the American Chemical Society. PMID 29258306 DOI: 10.1021/Jacs.7B11628  0.753
2017 Vogel YB, Zhang L, Darwish N, Gonçales VR, Le Brun A, Gooding JJ, Molina A, Wallace GG, Coote ML, Gonzalez J, Ciampi S. Reproducible flaws unveil electrostatic aspects of semiconductor electrochemistry. Nature Communications. 8: 2066. PMID 29233986 DOI: 10.1038/S41467-017-02091-1  0.305
2017 Aitken HM, Coote ML. Can electrostatic catalysis of Diels-Alder reactions be harnessed with pH-switchable charged functional groups? Physical Chemistry Chemical Physics : Pccp. PMID 29211080 DOI: 10.1039/C7Cp07562F  0.323
2017 Menzel JP, Noble BB, Lauer A, Coote ML, Blinco JP, Barner-Kowollik C. Wavelength Dependence of Light-Induced Cycloadditions. Journal of the American Chemical Society. PMID 29024596 DOI: 10.1021/Jacs.7B08047  0.708
2017 Li Y, Haworth NL, Xiang L, Ciampi S, Coote ML, Tao N. Mechanical stretching-induced electron transfer reactions and conductance switching in single molecules. Journal of the American Chemical Society. PMID 28946743 DOI: 10.1021/Jacs.7B08239  0.706
2017 Gryn'ova G, Smith LM, Coote ML. Computational design of pH-switchable control agents for nitroxide mediated polymerization. Physical Chemistry Chemical Physics : Pccp. PMID 28812080 DOI: 10.1039/C7Cp04337F  0.771
2017 Swann E, Fernandez M, Coote ML, Barnard AS. Bias-free chemically diverse test sets from machine learning. Acs Combinatorial Science. PMID 28722399 DOI: 10.1021/Acscombsci.7B00087  0.775
2017 Haworth NL, Wang Q, Coote ML. Modeling Flexible Molecules in Solution: A pKa Case Study. The Journal of Physical Chemistry. A. PMID 28665119 DOI: 10.1021/Acs.Jpca.7B04133  0.701
2017 Banwell M, Yan Q, Coote ML, Lee R, Willis AC. Establishing the True Structure of the Sorbicillinoid-derived Isolate Rezishanone C by Total Synthesis. Chemistry, An Asian Journal. PMID 28455854 DOI: 10.1002/Asia.201700456  0.645
2017 Gryn'ova G, Coote ML. Directionality and the Role of Polarization in Electric Field Effects on Radical Stability Australian Journal of Chemistry. 70: 367. DOI: 10.1071/Ch16579  0.719
2017 Jiang JY, Smith LM, Tyrell JH, Coote ML. Pulsed laser polymerisation studies of methyl methacrylate in the presence of AlCl3 and ZnCl2 – evidence of propagation catalysis Polymer Chemistry. 8: 5948-5953. DOI: 10.1039/C7Py01355H  0.617
2017 Nothling MD, Ganesan A, Condic-Jurkic K, Pressly E, Davalos A, Gotrik MR, Xiao Z, Khoshdel E, Hawker CJ, O'Mara ML, Coote ML, Connal LA. Simple Design of an Enzyme-Inspired Supported Catalyst Based on a Catalytic Triad Chem. 2: 732-745. DOI: 10.1016/J.Chempr.2017.04.004  0.708
2017 Ganesan A, Coote ML, Barakat K. Molecular ‘time-machines’ to unravel key biological events for drug design Wiley Interdisciplinary Reviews: Computational Molecular Science. 7. DOI: 10.1002/Wcms.1306  0.696
2017 Gardiner J, Martinez-Botella I, Kohl TM, Krstina J, Moad G, Tyrell JH, Coote ML, Tsanaktsidis J. 4-Halogeno-3,5-dimethyl-1H-pyrazole-1-carbodithioates: versatile reversible addition fragmentation chain transfer agents with broad applicability Polymer International. 66: 1438-1447. DOI: 10.1002/Pi.5423  0.352
2016 Brandt J, Haworth NL, Schmidt FG, Voit B, Coote ML, Barner-Kowollik C, Lederer A. Quantitative Analysis of Step-Growth Polymers by Size Exclusion Chromatography. Acs Macro Letters. 5: 1023-1028. PMID 35614639 DOI: 10.1021/acsmacrolett.6b00551  0.685
2016 Zhu B, Qiu S, Li J, Coote ML, Lee R, Jiang Z. Asymmetric [4 + 2] annulation of 5-thiazol-4-ones with a chiral dipeptide-based Brønsted base catalyst. Chemical Science. 7: 6060-6067. PMID 30034746 DOI: 10.1039/C6Sc02039A  0.658
2016 Mohamed AE, Condic-Jurkic K, Ahmed FH, Yuan P, O'Mara ML, Jackson CJ, Coote ML. Hydrophobic Shielding Drives Catalysis of Hydride Transfer in a Family of F420H2-Dependent Enzymes. Biochemistry. 55: 6908-6918. PMID 27951661 DOI: 10.1021/Acs.Biochem.6B00683  0.347
2016 Ganesan A, Coote ML, Barakat K. Molecular dynamics-driven drug discovery: Leaping forward with confidence. Drug Discovery Today. PMID 27890821 DOI: 10.1016/J.Drudis.2016.11.001  0.681
2016 Degirmenci I, Coote ML. Effect of Substituents on the Stability of Sulfur-Centered Radicals. The Journal of Physical Chemistry. A. 120: 7398-403. PMID 27618569 DOI: 10.1021/Acs.Jpca.6B08223  0.408
2016 Lee R, Coote ML. Mechanistic insights into ozone-initiated oxidative degradation of saturated hydrocarbons and polymers. Physical Chemistry Chemical Physics : Pccp. PMID 27545312 DOI: 10.1039/C6Cp05064F  0.686
2016 Lee R, Gryn'ova G, Ingold KU, Coote ML. Why are sec-alkylperoxyl bimolecular self-reactions orders of magnitude faster than the analogous reactions of tert-alkylperoxyls? The unanticipated role of CH hydrogen bond donation. Physical Chemistry Chemical Physics : Pccp. PMID 27511438 DOI: 10.1039/C6Cp04670C  0.806
2016 Qiu S, Lee R, Zhu B, Coote ML, Zhao X, Jiang Z. Highly Enantio- and Diastereo-selective [4+2] Cycloaddition of 5H-oxazol-4-ones with N-Maleimides. The Journal of Organic Chemistry. PMID 27459608 DOI: 10.1021/Acs.Joc.6B01451  0.65
2016 Zhang L, Vogel YB, Noble BB, Gonçales VR, Darwish N, Le Brun A, Gooding JJ, Wallace GG, Coote ML, Ciampi S. TEMPO monolayers on Si(100) electrodes; electrostatic effects by the electrolyte and semiconductor space-charge on the electroactivity of a persistent radical. Journal of the American Chemical Society. PMID 27373457 DOI: 10.1021/Jacs.6B04788  0.724
2016 Chen R, Lu D, Xie Z, Feng J, Jia Z, Ho J, Coote ML, Wu Y, Monteiro MJ, Chung SH. Peptidomimetic Star Polymers for Targeting Biological Ion Channels. Plos One. 11: e0152169. PMID 27007701 DOI: 10.1371/Journal.Pone.0152169  0.614
2016 Aragonès AC, Haworth NL, Darwish N, Ciampi S, Bloomfield NJ, Wallace GG, Diez-Perez I, Coote ML. Electrostatic catalysis of a Diels-Alder reaction. Nature. 531: 88-91. PMID 26935697 DOI: 10.1038/Nature16989  0.705
2016 Degirmenci I, Coote ML. Comparison of Thiyl, Alkoxyl, and Alkyl Radical Addition to Double Bonds: The Unusual Contrasting Behavior of Sulfur and Oxygen Radical Chemistry. The Journal of Physical Chemistry. A. 120: 1750-5. PMID 26932454 DOI: 10.1021/Acs.Jpca.6B00538  0.421
2016 Mohamed AE, Ahmed FH, Arulmozhiraja S, Lin CY, Taylor MC, Krausz ER, Jackson CJ, Coote ML. Protonation state of F420H2 in the prodrug-activating deazaflavin dependent nitroreductase (Ddn) from Mycobacterium tuberculosis. Molecular Biosystems. PMID 26876228 DOI: 10.1039/C6Mb00033A  0.734
2016 Nakamura Y, Lee R, Coote ML, Yamago S. Termination Mechanism of the Radical Polymerization of Acrylates. Macromolecular Rapid Communications. PMID 26800437 DOI: 10.1002/Marc.201500677  0.698
2016 Degirmenci I, Coote ML. Understanding The Behaviour Of Sulphur-Centred Radicals During Polymer Self-Healing Journal of the Turkish Chemical Society, Section a: Chemistry. 3: 707-720. DOI: 10.18596/Jotcsa.287305  0.397
2016 Lee R, Coote ML. Theoretical Investigation of Oxidative Cleavage of Cholesterol by Dual O2 Activation and Sulfide Reduction Australian Journal of Chemistry. 69: 933-942. DOI: 10.1071/Ch16093  0.667
2016 Noble BB, Mater AC, Smith LM, Coote ML. The effects of Lewis acid complexation on type I radical photoinitiators and implications for pulsed laser polymerization Polymer Chemistry. 7: 6400-6412. DOI: 10.1039/C6Py01445C  0.799
2016 Pahnke K, Haworth NL, Brandt J, Paulmann U, Richter C, Schmidt FG, Lederer A, Coote ML, Barner-Kowollik C. A mild, efficient and catalyst-free thermoreversible ligation system based on dithiooxalates Polymer Chemistry. 7: 3244-3250. DOI: 10.1039/C6Py00470A  0.703
2016 Brandt J, Haworth NL, Schmidt FG, Voit B, Coote ML, Barner-Kowollik C, Lederer A. Quantitative analysis of step-growth polymers by size exclusion chromatography Acs Macro Letters. 5: 1023-1028. DOI: 10.1021/Acsmacrolett.6B00551  0.706
2016 Maximiano P, Mendonça PV, Costa JRC, Haworth NL, Serra AC, Guliashvili T, Coote ML, Coelho JFJ. Ambient Temperature Transition-Metal-Free Dissociative Electron Transfer Reversible Addition-Fragmentation Chain Transfer Polymerization (DET-RAFT) of Methacrylates, Acrylates, and Styrene Macromolecules. 49: 1597-1604. DOI: 10.1021/Acs.Macromol.5B02647  0.722
2016 Frick E, Schweigert C, Noble BB, Ernst HA, Lauer A, Liang Y, Voll D, Coote ML, Unterreiner AN, Barner-Kowollik C. Toward a Quantitative Description of Radical Photoinitiator Structure-Reactivity Correlations Macromolecules. 49: 80-89. DOI: 10.1021/Acs.Macromol.5B02336  0.722
2016 Abreu CMR, Mendonça PV, Serra AC, Noble BB, Guliashvili T, Nicolas J, Coote ML, Coelho JFJ. Nitroxide-Mediated Polymerization of Vinyl Chloride at Low Temperature: Kinetic and Computational Studies Macromolecules. 49: 490-498. DOI: 10.1021/Acs.Macromol.5B02017  0.72
2016 Coote ML, Zavitsas AA. Using inherent radical stabilization energies to predict unknown enthalpies of formation and associated bond dissociation energies of complex molecules Tetrahedron. 72: 7749-7756. DOI: 10.1016/J.Tet.2016.03.015  0.402
2015 Klinska M, Smith LM, Gryn'ova G, Banwell MG, Coote ML. Experimental demonstration of pH-dependent electrostatic catalysis of radical reactions. Chemical Science. 6: 5623-5627. PMID 29861899 DOI: 10.1039/C5Sc01307K  0.782
2015 Pahnke K, Brandt J, Gryn'ova G, Lindner P, Schweins R, Schmidt FG, Lederer A, Coote ML, Barner-Kowollik C. Entropy driven chain effects on ligation chemistry. Chemical Science. 6: 1061-1074. PMID 29560194 DOI: 10.1039/C4Sc02908A  0.725
2015 Gryn'ova G, Coote ML, Corminboeuf C. Theory and practice of uncommon molecular electronic configurations. Wiley Interdisciplinary Reviews. Computational Molecular Science. 5: 440-459. PMID 27774112 DOI: 10.1002/Wcms.1233  0.747
2015 Pahnke K, Brandt J, Gryn'ova G, Lin CY, Altintas O, Schmidt FG, Lederer A, Coote ML, Barner-Kowollik C. Entropy-Driven Selectivity for Chain Scission: Where Macromolecules Cleave. Angewandte Chemie (International Ed. in English). PMID 26663567 DOI: 10.1002/Anie.201508531  0.78
2015 Zhu B, Lee R, Li J, Ye X, Hong SN, Qiu S, Coote ML, Jiang Z. Chemoselective Switch in the Asymmetric Organocatalysis of 5H-Oxazol-4-ones and N-Itaconimides: Addition-Protonation or [4+2] Cycloaddition. Angewandte Chemie (International Ed. in English). PMID 26662073 DOI: 10.1002/Anie.201507796  0.661
2015 Arulmozhiraja S, Coote ML, Hasegawa JY. Electronic spectra of azaindole and its excited state mixing: A symmetry-adapted cluster configuration interaction study. The Journal of Chemical Physics. 143: 204304. PMID 26627956 DOI: 10.1063/1.4935578  0.669
2015 Lederhose P, Haworth NL, Thomas K, Bottle SE, Coote ML, Barner-Kowollik C, Blinco JP. Design of Redox/Radical Sensing Molecules via Nitrile Imine-Mediated Tetrazole-ene Cycloaddition (NITEC). The Journal of Organic Chemistry. 80: 8009-17. PMID 26168007 DOI: 10.1021/Acs.Joc.5B01088  0.717
2015 Ciampi S, Eggers PK, Haworth NL, Darwish N, Wagner P, Coote ML, Wallace GG, Raston CL. Decoloration rates of a photomerocyanine dye as a visual probe into hydrogen bonding interactions Chemical Communications. 51: 4815-4818. PMID 25692486 DOI: 10.1039/C4Cc09857A  0.686
2015 Hancock AN, Lobachevsky S, Haworth NL, Coote ML, Schiesser CH. The effect of leaving radical on the formation of tetrahydroselenophene by SHi ring closure: an experimental and computational study. Organic & Biomolecular Chemistry. 13: 2310-6. PMID 25555256 DOI: 10.1039/C4Ob02434F  0.717
2015 Stoutenburg EG, Gryn'ova G, Coote ML, Priefer R. Chemical shift and coupling constant analysis of dibenzyloxy disulfides. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 136: 1924-31. PMID 25467687 DOI: 10.1016/J.Saa.2014.10.109  0.706
2015 Lu D, Arulmozhiraja S, Coote ML, Rae AD, Salem G, Willis AC, Wild SB, Benhenda S, Breitenbach VL, De Thé H, Zhai X, Hogg PJ, Dilda PJ. Sulfur derivatives of the natural polyarsenical arsenicin a: Biologically active, organometallic arsenic-sulfur cages related to the minerals realgar and uzonite Organometallics. 34: 829-840. DOI: 10.1021/Om500829Y  0.632
2015 Noble BB, Coote ML. Mechanistic Perspectives on Stereocontrol in Lewis Acid-Mediated Radical Polymerization: Lessons from Small-Molecule Synthesis Advances in Physical Organic Chemistry. 49: 189-258. DOI: 10.1016/Bs.Apoc.2015.07.002  0.734
2015 Pahnke K, Brandt J, Gryn'ova G, Lin CY, Altintas O, Schmidt FG, Lederer A, Coote ML, Barner-Kowollik C. Entropisch bedingte Selektivität der Kettenspaltung oder: Wo Makromoleküle sich trennen Angewandte Chemie. 128: 1537-1541. DOI: 10.1002/Ange.201508531  0.648
2014 Anderson P, Petit A, Ho J, Mitoraj MP, Coote ML, Danovich D, Shaik S, Braïda B, Ess DH. Protonated alcohols are examples of complete charge-shift bonds. The Journal of Organic Chemistry. 79: 9998-10001. PMID 25317657 DOI: 10.1021/Jo501549Q  0.635
2014 Chen R, Gryn'ova G, Wu Y, Coote ML, Chung SH. Mechanisms and energetics of potassium channel block by local anesthetics and antifungal agents. Biochemistry. 53: 6786-92. PMID 25300013 DOI: 10.1021/Bi5009408  0.668
2014 Bloch WM, Burgun A, Coghlan CJ, Lee R, Coote ML, Doonan CJ, Sumby CJ. Capturing snapshots of post-synthetic metallation chemistry in metal-organic frameworks. Nature Chemistry. 6: 906-12. PMID 25242486 DOI: 10.1038/Nchem.2045  0.63
2014 Marenich AV, Ho J, Coote ML, Cramer CJ, Truhlar DG. Computational electrochemistry: prediction of liquid-phase reduction potentials. Physical Chemistry Chemical Physics : Pccp. 16: 15068-106. PMID 24958074 DOI: 10.1039/C4Cp01572J  0.658
2014 Coote ML, Lin CY, Zavitsas AA. Inherent and transferable stabilization energies of carbon- and heteroatom-centred radicals on the same relative scale and their applications. Physical Chemistry Chemical Physics : Pccp. 16: 8686-96. PMID 24675783 DOI: 10.1039/C4Cp00537F  0.577
2014 Noble BB, Smith LM, Coote ML. The effect of LiNTf2 on the propagation rate coefficient of methyl methacrylate Polymer Chemistry. 5: 4974-4983. DOI: 10.1039/C4Py00190G  0.788
2014 Barner-Kowollik C, Beuermann S, Buback M, Castignolles P, Charleux B, Coote ML, Hutchinson RA, Junkers T, Lacík I, Russell GT, Stach M, Van Herk AM. Critically evaluated rate coefficients in radical polymerization-7. Secondary-radical propagation rate coefficients for methyl acrylate in the bulk Polymer Chemistry. 5: 204-212. DOI: 10.1039/C3Py00774J  0.355
2014 Paine MRL, Gryn'Ova G, Coote ML, Barker PJ, Blanksby SJ. Desorption electrospray ionisation mass spectrometry of stabilised polyesters reveals activation of hindered amine light stabilisers Polymer Degradation and Stability. 99: 223-232. DOI: 10.1016/J.Polymdegradstab.2013.10.026  0.702
2014 Marshall DL, Gryn'ova G, Coote ML, Barker PJ, Blanksby SJ. Experimental evidence for competitive NO and OC bond homolysis in gas-phase alkoxyamines International Journal of Mass Spectrometry. DOI: 10.1016/J.Ijms.2014.06.030  0.702
2013 Gryn'ova G, Coote ML. Origin and scope of long-range stabilizing interactions and associated SOMO-HOMO conversion in distonic radical anions. Journal of the American Chemical Society. 135: 15392-403. PMID 24090128 DOI: 10.1021/Ja404279F  0.733
2013 Lee R, Coote ML. New insights into 1,2,4-trioxolane stability and the crucial role of ozone in promoting polymer degradation. Physical Chemistry Chemical Physics : Pccp. 15: 16428-31. PMID 23949571 DOI: 10.1039/C3Cp52863D  0.66
2013 Ho J, Zheng J, Meana-Pañeda R, Truhlar DG, Ko EJ, Savage GP, Williams CM, Coote ML, Tsanaktsidis J. Chloroform as a hydrogen atom donor in Barton reductive decarboxylation reactions. The Journal of Organic Chemistry. 78: 6677-87. PMID 23731255 DOI: 10.1021/Jo400927Y  0.653
2013 Gryn'ova G, Marshall DL, Blanksby SJ, Coote ML. Switching radical stability by pH-induced orbital conversion. Nature Chemistry. 5: 474-81. PMID 23695628 DOI: 10.1038/Nchem.1625  0.721
2013 Noble BB, Coote ML. First principles modelling of free-radical polymerisation kinetics International Reviews in Physical Chemistry. 32: 467-513. DOI: 10.1080/0144235X.2013.797277  0.733
2013 Aitken HM, Horvat SM, Coote ML, Lin CY, Schiesser CH. Rate coefficients for intramolecular homolytic substitution of oxyacyl radicals at sulfur Australian Journal of Chemistry. 66: 323-329. DOI: 10.1071/Ch12477  0.651
2013 Gryn'ova G, Guliashvili T, Matyjaszewski K, Coote ML. Computational evaluation of the sulfonyl radical as a universal leaving group for RAFT polymerisation Australian Journal of Chemistry. 66: 308-313. DOI: 10.1071/Ch12452  0.726
2013 Guimard NK, Ho J, Brandt J, Lin CY, Namazian M, Mueller JO, Oehlenschlaeger KK, Hilf S, Lederer A, Schmidt FG, Coote ML, Barner-Kowollik C. Harnessing entropy to direct the bonding/debonding of polymer systems based on reversible chemistry Chemical Science. 4: 2752-2759. DOI: 10.1039/C3Sc50642H  0.787
2013 Gryn'ova G, Lin CY, Coote ML. Which side-reactions compromise nitroxide mediated polymerization? Polymer Chemistry. 4: 3744. DOI: 10.1039/C3Py00534H  0.786
2013 Oehlenschlaeger KK, Guimard NK, Brandt J, Mueller JO, Lin CY, Hilf S, Lederer A, Coote ML, Schmidt FG, Barner-Kowollik C. Fast and catalyst-free hetero-diels-alder chemistry for on demand cyclable bonding/debonding materials Polymer Chemistry. 4: 4348-4355. DOI: 10.1039/C3Py00476G  0.634
2013 Altintas O, Riazi K, Lee R, Lin CY, Coote ML, Wilhelm M, Barner-Kowollik C. RAFT-based polystyrene and polyacrylate melts under thermal and mechanical stress Macromolecules. 46: 8079-8091. DOI: 10.1021/Ma401749H  0.74
2013 Smith LM, Coote ML. Effect of temperature and solvent on polymer tacticity in the free‐radical polymerization of styrene and methyl methacrylate Journal of Polymer Science Part A. 51: 3351-3358. DOI: 10.1002/Pola.26745  0.61
2013 Pasfield LA, Cruz Ldl, Ho J, Coote ML, Otting G, McLeod MD. Synthesis of (±)-Panduratin A and Related Natural Products Using the High Pressure Diels–Alder Reaction Asian Journal of Organic Chemistry. 2: 60-63. DOI: 10.1002/Ajoc.201200171  0.605
2012 Arulmozhiraja S, Coote ML. (1)La and (1)Lb States of Indole and Azaindole: Is Density Functional Theory Inadequate? Journal of Chemical Theory and Computation. 8: 575-84. PMID 26596606 DOI: 10.1021/Ct200768B  0.667
2012 Biegasiewicz KF, Ingalsbe ML, St Denis JD, Gleason JL, Ho J, Coote ML, Savage GP, Priefer R. Evaluation of a chiral cubane-based Schiff base ligand in asymmetric catalysis reactions. Beilstein Journal of Organic Chemistry. 8: 1814-8. PMID 23209516 DOI: 10.3762/Bjoc.8.207  0.646
2012 Heinrich N, Willis AC, Cade IA, Ho J, Coote ML, Banwell MG. Reversible cyclopropane ring-cleavage reactions within etheno-bridged [4.3.1]propelladiene frameworks leading to aza- and oxa-[5.6.5.6]fenestratetraenes. Chemistry (Weinheim An Der Bergstrasse, Germany). 18: 13585-8. PMID 22987604 DOI: 10.1002/Chem.201202903  0.651
2012 Gryn'ova G, Barakat JM, Blinco JP, Bottle SE, Coote ML. Computational design of cyclic nitroxides as efficient redox mediators for dye-sensitized solar cells. Chemistry (Weinheim An Der Bergstrasse, Germany). 18: 7582-93. PMID 22532461 DOI: 10.1002/Chem.201103598  0.712
2012 Gryn'ova G, Ingold KU, Coote ML. New insights into the mechanism of amine/nitroxide cycling during the hindered amine light stabilizer inhibited oxidative degradation of polymers. Journal of the American Chemical Society. 134: 12979-88. PMID 22493941 DOI: 10.1021/Ja3006379  0.73
2012 Gordon D, Chen R, Ho J, Coote ML, Chung SH. Rigid body Brownian dynamics as a tool for studying ion channel blockers. The Journal of Physical Chemistry. B. 116: 1933-41. PMID 22257264 DOI: 10.1021/Jp210105F  0.607
2012 Namazian M, Zare HR, Coote ML. Theoretical Study of the Oxidation Mechanism of Hematoxylin in Aqueous Solution Australian Journal of Chemistry. 65: 486-489. DOI: 10.1071/Ch12019  0.674
2012 Zhou J, Guimard NK, Inglis AJ, Namazian M, Lin CY, Coote ML, Spyrou E, Hilf S, Schmidt FG, Barner-Kowollik C. Thermally reversible Diels-Alder-based polymerization: An experimental and theoretical assessment Polymer Chemistry. 3: 628-639. DOI: 10.1039/C1Py00356A  0.769
2012 Lu D, Coote ML, Ho J, Kilah NL, Lin CY, Salem G, Weir ML, Willis AC, Wild SB, Dilda PJ. Resolution and improved synthesis of (±)-Arsenicin A: A natural adamantane-type tetraarsenical possessing strong anti-acute promelocytic leukemia cell line activity Organometallics. 31: 1808-1816. DOI: 10.1021/Om201180D  0.708
2012 Sanders GC, Duchateau R, Lin CY, Coote ML, Heuts JPA. End-Functional Styrene−Maleic Anhydride Copolymers via Catalytic Chain Transfer Polymerization Macromolecules. 45: 5923-5933. DOI: 10.1021/Ma301161U  0.615
2012 Abreu CMR, Mendonça PV, Serra AC, Coelho JFJ, Popov AV, Gryn’ova G, Coote ML, Guliashvili T. Reversible addition-fragmentation chain transfer polymerization of vinyl chloride Macromolecules. 45: 2200-2208. DOI: 10.1021/Ma300064J  0.333
2012 Aitken HM, Horvat SM, Schiesser CH, Lin CY, Coote ML. Rate coefficients for intramolecular homolytic substitution of oxyacyl radicals at selenium International Journal of Chemical Kinetics. 44: 51-58. DOI: 10.1002/Kin.20604  0.655
2011 Modglin JD, Erdely VK, Lin CY, Coote ML, Poole JS. Hammett correlations in the chemistry of 3-phenylpropyl radicals. The Journal of Physical Chemistry. A. 115: 14687-96. PMID 22148587 DOI: 10.1021/Jp209394D  0.661
2011 Junkers T, Barner-Kowollik C, Coote ML. Revealing model dependencies in "Assessing the RAFT equilibrium constant via model systems: an EPR study". Macromolecular Rapid Communications. 32: 1891-8. PMID 22012923 DOI: 10.1002/Marc.201100494  0.345
2011 Ho J, Coote ML, Easton CJ. Validation of the distal effect of electron-withdrawing groups on the stability of peptide enolates and its exploitation in the controlled stereochemical inversion of amino acid derivatives. The Journal of Organic Chemistry. 76: 5907-14. PMID 21714508 DOI: 10.1021/Jo200994Z  0.637
2011 Marshall DL, Christian ML, Gryn'ova G, Coote ML, Barker PJ, Blanksby SJ. Oxidation of 4-substituted TEMPO derivatives reveals modifications at the 1- and 4-positions. Organic & Biomolecular Chemistry. 9: 4936-47. PMID 21597620 DOI: 10.1039/C1Ob05037K  0.735
2011 Arulmozhiraja S, Coote ML, Kitahara Y, Juhász M, Fujii T. Is the bisphenol A biradical formed in the pyrolysis of polycarbonate? The Journal of Physical Chemistry. A. 115: 4874-81. PMID 21517048 DOI: 10.1021/Jp1093004  0.691
2011 Arulmozhiraja S, Coote ML, Lu D, Salem G, Wild SB. Origin of the unusual ultraviolet absorption of Arsenicin A. The Journal of Physical Chemistry. A. 115: 4530-4. PMID 21434669 DOI: 10.1021/Jp200956B  0.77
2011 Modglin JD, Dunham JC, Gibson CW, Lin CY, Coote ML, Poole JS. Computational study of the chemistry of 3-phenylpropyl radicals. The Journal of Physical Chemistry. A. 115: 2431-41. PMID 21355533 DOI: 10.1021/Jp112257U  0.662
2011 Isse AA, Gennaro A, Lin CY, Hodgson JL, Coote ML, Guliashvili T. Mechanism of carbon-halogen bond reductive cleavage in activated alkyl halide initiators relevant to living radical polymerization: theoretical and experimental study. Journal of the American Chemical Society. 133: 6254-64. PMID 21299228 DOI: 10.1021/Ja110538B  0.774
2011 Lin CY, Peh J, Coote ML. Effects of chemical structure on the thermodynamic efficiency of radical chain carriers for organic synthesis. The Journal of Organic Chemistry. 76: 1715-26. PMID 21280598 DOI: 10.1021/Jo102368V  0.645
2011 Isse AA, Lin CY, Coote ML, Gennaro A. Estimation of standard reduction potentials of halogen atoms and alkyl halides. The Journal of Physical Chemistry. B. 115: 678-84. PMID 21186813 DOI: 10.1021/Jp109613T  0.615
2011 Brittain DR, Pandey R, Kumari K, Sharma P, Pandey G, Lal R, Coote ML, Oakeshott JG, Jackson CJ. Competing S(N)2 and E2 reaction pathways for hexachlorocyclohexane degradation in the gas phase, solution and enzymes. Chemical Communications (Cambridge, England). 47: 976-8. PMID 21082075 DOI: 10.1039/C0Cc02925D  0.759
2011 Gryn'ova G, Hodgson JL, Coote ML. Revising the mechanism of polymer autooxidation. Organic & Biomolecular Chemistry. 9: 480-90. PMID 21072412 DOI: 10.1039/C0Ob00596G  0.796
2011 Farrokhpour H, Mombeini Z, Namazian M, Coote ML. Intermolecular potential energy surface for CS2 dimer. Journal of Computational Chemistry. 32: 797-809. PMID 20941736 DOI: 10.1002/Jcc.21658  0.654
2011 Golubev VB, Filippov AN, Chernikova EV, Coote ML, Lin CY, Gryn’ova G. The use of spin traps for the kinetic investigation of elementary events of pseudoliving radical reversible addition-fragmentation chain-transfer polymerization Polymer Science Series C. 53: 14-26. DOI: 10.1134/S1811238211040023  0.641
2011 Lin CY, Coote ML. An Ab Initio Investigation of the Chain-Length Dependence of the Addition–Fragmentation Equilibria in RAFT Polymerization Australian Journal of Chemistry. 64: 747-756. DOI: 10.1071/Ch11069  0.634
2011 Ho J, Coote ML, Easton CJ. The distal effect of N-electron-withdrawing groups on the stability of peptide carbon radicals Australian Journal of Chemistry. 64: 403-408. DOI: 10.1071/Ch11003  0.694
2011 Lin CY, Marque SRA, Matyjaszewski K, Coote ML. Linear-Free Energy Relationships for Modeling Structure–Reactivity Trends in Controlled Radical Polymerization Macromolecules. 44: 7568-7583. DOI: 10.1021/Ma2014996  0.608
2011 Ho J, Coote ML. First‐principles prediction of acidities in the gas and solution phase Wires Computational Molecular Science. 1: 649-660. DOI: 10.1002/Wcms.43  0.633
2010 Namazian M, Lin CY, Coote ML. Benchmark Calculations of Absolute Reduction Potential of Ferricinium/Ferrocene Couple in Nonaqueous Solutions. Journal of Chemical Theory and Computation. 6: 2721-5. PMID 26616073 DOI: 10.1021/Ct1003252  0.747
2010 Chan B, Coote ML, Radom L. G4-SP, G4(MP2)-SP, G4-sc, and G4(MP2)-sc: Modifications to G4 and G4(MP2) for the Treatment of Medium-Sized Radicals. Journal of Chemical Theory and Computation. 6: 2647-53. PMID 26616066 DOI: 10.1021/Ct100266U  0.443
2010 Ho J, Klamt A, Coote ML. Comment on the correct use of continuum solvent models. The Journal of Physical Chemistry. A. 114: 13442-4. PMID 21133342 DOI: 10.1021/Jp107136J  0.633
2010 Ho J, Coote ML, Franco-Pérez M, Gómez-Balderas R. First-principles prediction of the pK(a)s of anti-inflammatory oxicams. The Journal of Physical Chemistry. A. 114: 11992-2003. PMID 20949907 DOI: 10.1021/Jp107890P  0.65
2010 Hodgson JL, Roskop LB, Gordon MS, Lin CY, Coote ML. Side reactions of nitroxide-mediated polymerization: N-O versus O-C cleavage of alkoxyamines. The Journal of Physical Chemistry. A. 114: 10458-66. PMID 20812754 DOI: 10.1021/Jp1064165  0.751
2010 Kyne SH, Lin CY, Ryu I, Coote ML, Schiesser CH. First determination of the rate constant for ring-closure of an azahexenoyl radical: 6-aza-7-ethyl-5-hexenoyl Chemical Communications. 46: 6521-6523. PMID 20714539 DOI: 10.1039/C0Cc01262A  0.627
2010 Coote ML, Lin CY, Beckwith AL, Zavitsas AA. A comparison of methods for measuring relative radical stabilities of carbon-centred radicals. Physical Chemistry Chemical Physics : Pccp. 12: 9597-610. PMID 20556274 DOI: 10.1039/C003880F  0.58
2010 Ho J, Easton CJ, Coote ML. The distal effect of electron-withdrawing groups and hydrogen bonding on the stability of peptide enolates. Journal of the American Chemical Society. 132: 5515-21. PMID 20337444 DOI: 10.1021/Ja100996Z  0.644
2010 Coote ML, Namazian M, Wild SB. A Computational Study of the Radical Ring-Opening Polymerization of Diphosphetanes Australian Journal of Chemistry. 63: 1189-1194. DOI: 10.1071/Ch10085  0.673
2010 Chernikova E, Golubev V, Filippov A, Lin CY, Coote ML. Use of spin traps to measure the addition and fragmentation rate coefficients of small molecule RAFT-adduct radicals† Polymer Chemistry. 1: 1437-1440. DOI: 10.1039/C0Py00245C  0.589
2010 Lin CY, Izgorodina EI, Coote ML. First Principles Prediction of The Propagation Rate Coefficients of Acrylic and Vinyl Esters: Are We There Yet? Macromolecules. 43: 553-560. DOI: 10.1021/Ma902049G  0.74
2010 Hodgson JL, Coote ML. Clarifying the Mechanism of the Denisov Cycle: How do Hindered Amine Light Stabilizers Protect Polymer Coatings from Photo-oxidative Degradation? Macromolecules. 43: 4573-4583. DOI: 10.1021/Ma100453D  0.665
2010 Hodgson JL, Yeh Lin C, Coote ML, Marque SRA, Matyjaszewski K. Linear Free-Energy Relationships for the Alkyl Radical Affinities of Nitroxides: A Theoretical Study Macromolecules. 43: 3728-3743. DOI: 10.1021/Ma100287W  0.676
2009 Ho J, Coote ML. pKa Calculation of Some Biologically Important Carbon Acids - An Assessment of Contemporary Theoretical Procedures. Journal of Chemical Theory and Computation. 5: 295-306. PMID 26610106 DOI: 10.1021/Ct800335V  0.641
2009 Zare HR, Eslami M, Namazian M, Coote ML. Experimental and theoretical studies of redox reactions of o-chloranil in aqueous solution. The Journal of Physical Chemistry. B. 113: 8080-5. PMID 19453120 DOI: 10.1021/Jp8105265  0.692
2009 Lin CY, Hodgson JL, Namazian M, Coote ML. Comparison of G3 and G4 theories for radical addition and abstraction reactions. The Journal of Physical Chemistry. A. 113: 3690-7. PMID 19309098 DOI: 10.1021/Jp900649J  0.802
2009 Brittain DR, Lin CY, Gilbert AT, Izgorodina EI, Gill PM, Coote ML. The role of exchange in systematic DFT errors for some organic reactions. Physical Chemistry Chemical Physics : Pccp. 11: 1138-42. PMID 19209354 DOI: 10.1039/B818412G  0.784
2009 Lin CY, Coote ML. How Well Can Theory Predict Addition–Fragmentation Equilibrium Constants in RAFT Polymerization? Australian Journal of Chemistry. 62: 1479-1483. DOI: 10.1071/Ch09269  0.631
2009 Namazian M, Coote ML. Gas-phase acidity, bond dissociation energy and enthalpy of formation of fluorine-substituted benzenes: A theoretical study Journal of Fluorine Chemistry. 130: 621-628. DOI: 10.1016/J.Jfluchem.2009.04.003  0.683
2009 Namazian M, Coote ML. Proton-transfer tautomerism and enthalpies of formation of some isoquinoline derivatives The Journal of Chemical Thermodynamics. 41: 1446-1448. DOI: 10.1016/J.Jct.2009.06.027  0.686
2009 Zare HR, Namazian M, Coote ML. Experimental and theoretical studies of electrochemical characteristics of 3,4-dihydroxyphenylacetic acid (DOPAC) Electrochimica Acta. 54: 5353-5357. DOI: 10.1016/J.Electacta.2009.04.012  0.674
2009 Ho J, Coote ML. A universal approach for continuum solvent pK a calculations: are we there yet? Theoretical Chemistry Accounts. 125: 3-21. DOI: 10.1007/S00214-009-0667-0  0.649
2009 Nebhani L, Sinnwell S, Lin CY, Coote ML, Stenzel MH, Barner-Kowollik C. Strongly electron deficient sulfonyldithioformate based RAFT agents for hetero Diels-Alder conjugation: Computational design and experimental evaluation Journal of Polymer Science Part a: Polymer Chemistry. 47: 6053-6071. DOI: 10.1002/Pola.23647  0.631
2009 Coote ML. Quantum-chemical modeling of free-radical polymerization Macromolecular Theory and Simulations. 18: 388-400. DOI: 10.1002/Mats.200900050  0.347
2008 Lobachevsky S, Schiesser CH, Lin CY, Coote ML. First-principles prediction of rate coefficients for free-radical cyclization reactions at selenium. The Journal of Physical Chemistry. A. 112: 13622-7. PMID 19053803 DOI: 10.1021/Jp806535Z  0.606
2008 Lin CY, Coote ML, Gennaro A, Matyjaszewski K. Ab initio evaluation of the thermodynamic and electrochemical properties of alkyl halides and radicals and their mechanistic implications for atom transfer radical polymerization. Journal of the American Chemical Society. 130: 12762-74. PMID 18761460 DOI: 10.1021/Ja8038823  0.631
2008 Blinco JP, Hodgson JL, Morrow BJ, Walker JR, Will GD, Coote ML, Bottle SE. Experimental and theoretical studies of the redox potentials of cyclic nitroxides. The Journal of Organic Chemistry. 73: 6763-71. PMID 18683980 DOI: 10.1021/Jo801099W  0.673
2008 Tang W, Kwak Y, Braunecker W, Tsarevsky NV, Coote ML, Matyjaszewski K. Understanding atom transfer radical polymerization: effect of ligand and initiator structures on the equilibrium constants. Journal of the American Chemical Society. 130: 10702-13. PMID 18642811 DOI: 10.1021/Ja802290A  0.311
2008 Lin CY, Izgorodina EI, Coote ML. How Accurate Are Approximate Methods for Evaluating Partition Functions for Hindered Internal Rotations? The Journal of Physical Chemistry. A. 112: 1956-1964. PMID 18260658 DOI: 10.1021/Jp710341H  0.709
2008 Namazian M, Zare HR, Coote ML. Determination of the absolute redox potential of Rutin: experimental and theoretical studies. Biophysical Chemistry. 132: 64-8. PMID 17997213 DOI: 10.1016/J.Bpc.2007.10.010  0.651
2008 Coote ML, Krenske EH, Porter KA, Weir ML, Willis AC, Zhou X, Wild SB. Asymmetric synthesis of a tertiary arsine by nucleophilic addition to a chiral phosphine-stabilized arsenium salt Organometallics. 27: 5099-5107. DOI: 10.1021/Om8006272  0.621
2008 Purmova J, Pauwels KFD, Agostiní M, Bruinsma M, Vorenkamp EJ, Schouten AJ, Coote ML. Experimental and theoretical evaluation of the reactions leading to formation of internal double bonds in suspension PVC Macromolecules. 41: 5527-5539. DOI: 10.1021/Ma800583K  0.413
2008 Namazian M, Siahrostami S, Coote ML. Electron affinity and redox potential of tetrafluoro-p-benzoquinone: A theoretical study Journal of Fluorine Chemistry. 129: 222-225. DOI: 10.1016/J.Jfluchem.2007.11.007  0.658
2008 Namazian M, Coote ML. Calculation of the enthalpies of formation and proton affinities of some isoquinoline derivatives The Journal of Chemical Thermodynamics. 40: 1627-1631. DOI: 10.1016/J.Jct.2008.07.007  0.68
2008 Namazian M, Coote ML. G3 Calculations of the proton affinity and ionization energy of dimethyl methylphosphonate The Journal of Chemical Thermodynamics. 40: 1116-1119. DOI: 10.1016/J.Jct.2008.02.017  0.67
2008 Namazian M, Zakery M, Noorbala MR, Coote ML. Accurate calculation of the pKa of trifluoroacetic acid using high-level ab initio calculations Chemical Physics Letters. 451: 163-168. DOI: 10.1016/J.Cplett.2007.11.088  0.663
2008 Coote ML, Krenske EH, Maulana I, Steinbach J, Wild SB. Reactivity of phosphiranes toward nucleophiles: Theoretical and experimental investigations Heteroatom Chemistry. 19: 178-181. DOI: 10.1002/Hc.20405  0.63
2007 Hodgson JL, Namazian M, Bottle SE, Coote ML. One-electron oxidation and reduction potentials of nitroxide antioxidants: a theoretical study. The Journal of Physical Chemistry. A. 111: 13595-605. PMID 18052257 DOI: 10.1021/Jp074250E  0.776
2007 Izgorodina EI, Brittain DR, Hodgson JL, Krenske EH, Lin CY, Namazian M, Coote ML. Should contemporary density functional theory methods be used to study the thermodynamics of radical reactions? The Journal of Physical Chemistry. A. 111: 10754-68. PMID 17887739 DOI: 10.1021/Jp075837W  0.78
2007 Krenske EH, Coote ML. Effects of substituents on the stabilities of phosphonyl radicals and their hydroxyphosphinyl tautomers. The Journal of Physical Chemistry. A. 111: 8229-40. PMID 17661450 DOI: 10.1021/Jp072358O  0.647
2007 Namazian M, Coote ML. Accurate calculation of absolute one-electron redox potentials of some para-quinone derivatives in acetonitrile. The Journal of Physical Chemistry. A. 111: 7227-32. PMID 17625811 DOI: 10.1021/Jp0725883  0.678
2007 Izgorodina EI, Lin CY, Coote ML. Energy-directed tree search: an efficient systematic algorithm for finding the lowest energy conformation of molecules. Physical Chemistry Chemical Physics : Pccp. 9: 2507-16. PMID 17508083 DOI: 10.1039/B700938K  0.716
2007 Coote ML, Hodgson JL, Krenske EH, Namazian M, Wild SB. Radical Ring-Opening Polymerization of Phosphorus Heterocycles: Computational Design of Suitable Phosphetane Monomers Australian Journal of Chemistry. 60: 744. DOI: 10.1071/Ch07121  0.792
2007 Lin CY, Coote ML, Petit A, Richard P, Poli R, Matyjaszewski K. Ab Initio Study of the Penultimate Effect for the ATRP Activation Step Using Propylene, Methyl Acrylate, and Methyl Methacrylate Monomers Macromolecules. 40: 5985-5994. DOI: 10.1021/Ma070911U  0.601
2007 Longshaw AI, Carland MW, Krenske EH, Coote ML, Sherburn MS. Tris(trimethylsilyl)methane is not an effective mediator of radical reactions Tetrahedron Letters. 48: 5585-5588. DOI: 10.1016/J.Tetlet.2007.06.055  0.638
2007 Coote ML, Hodgson JL, Krenske EH, Wild SB. Anionic ring-opening polymerization of small phosphorus heterocycles and their borane adducts: An ab initio investigation Heteroatom Chemistry. 18: 118-128. DOI: 10.1002/Hc.20323  0.745
2006 Chaffey-Millar H, Izgorodina EI, Barner-Kowollik C, Coote ML. Radical Addition to Thioketones:  Computer-Aided Design of Spin Traps for Controlling Free-Radical Polymerization. Journal of Chemical Theory and Computation. 2: 1632-45. PMID 26627034 DOI: 10.1021/Ct600128T  0.668
2006 Coote ML, Easton CJ, Zard SZ. Factors affecting the relative and absolute rates of beta-scission of alkoxythiocarbonyl radicals and alkoxycarbonyl radicals. The Journal of Organic Chemistry. 71: 4996-9. PMID 16776533 DOI: 10.1021/Jo0607313  0.368
2006 Sandala GM, Smith DM, Coote ML, Golding BT, Radom L. Insights into the hydrogen-abstraction reactions of diol dehydratase: relevance to the catalytic mechanism and suicide inactivation. Journal of the American Chemical Society. 128: 3433-44. PMID 16522124 DOI: 10.1021/Ja057902Q  0.621
2006 Izgorodina EI, Coote ML. Reliable low-cost theoretical procedures for studying addition-fragmentation in RAFT polymerization. The Journal of Physical Chemistry. A. 110: 2486-92. PMID 16480308 DOI: 10.1021/Jp055158Q  0.612
2006 Toy AA, Chaffey-Millar H, Davis TP, Stenzel MH, Izgorodina EI, Coote ML, Barner-Kowollik C. Thioketone spin traps as mediating agents for free radical polymerization processes. Chemical Communications (Cambridge, England). 835-7. PMID 16479283 DOI: 10.1039/B515561D  0.669
2006 Coote ML, Barner-Kowollik C. Ab Initio Kinetic Modelling in Radical Polymerization: A Paradigm Shift in Reaction Kinetic Analysis Australian Journal of Chemistry. 59: 712-718. DOI: 10.1071/Ch06194  0.38
2006 Chaffey-Millar H, Stenzel MH, Davis TP, Coote ML, Barner-Kowollik C. Design Criteria for Star Polymer Formation Processes via Living Free Radical Polymerization Macromolecules. 39: 6406-6419. DOI: 10.1021/Ma060964W  0.472
2006 Coote ML, Izgorodina EI, Cavigliasso GE, Roth M, Busch M, Barner-Kowollik C. Addition-Fragmentation Kinetics of Fluorodithioformates (F-RAFT) in Styrene, Vinyl Acetate, and Ethylene Polymerization:  An Ab Initio Investigation Macromolecules. 39: 4585-4591. DOI: 10.1021/Ma060470Z  0.622
2006 Namazian M, Siahrostami S, Noorbala MR, Coote ML. Calculation of two-electron reduction potentials for some quinone derivatives in aqueous solution using Møller–Plesset perturbation theory Journal of Molecular Structure-Theochem. 759: 245-247. DOI: 10.1016/J.Theochem.2005.11.011  0.673
2006 Namazian M, Kalantary-Fotooh F, Noorbala MR, Searles DJ, Coote ML. Møller–Plesset perturbation theory calculations of the pKa values for a range of carboxylic acids Journal of Molecular Structure-Theochem. 758: 275-278. DOI: 10.1016/J.Theochem.2005.10.024  0.656
2006 Izgorodina EI, Coote ML. Accurate ab initio prediction of propagation rate coefficients in free-radical polymerization: Acrylonitrile and vinyl chloride Chemical Physics. 324: 96-110. DOI: 10.1016/J.Chemphys.2005.09.042  0.677
2006 Barner-Kowollik C, Buback M, Charleux B, Coote ML, Drache M, Fukuda T, Goto A, Klumperman B, Lowe AB, Mcleary JB, Moad G, Monteiro MJ, Sanderson RD, Tonge MP, Vana P. Mechanism and kinetics of dithiobenzoate-mediated RAFT polymerization. I. The current situation Journal of Polymer Science, Part a: Polymer Chemistry. 44: 5809-5831. DOI: 10.1002/Pola.21589  0.319
2006 Izgorodina EI, Coote ML. Cover Picture: Macromol. Theory Simul. 5/2006 Macromolecular Theory and Simulations. 15: 373-373. DOI: 10.1002/Mats.200690008  0.569
2006 Izgorodina EI, Coote ML. Is the Addition-Fragmentation Step of the RAFT Polymerisation Process Chain Length Dependent? Macromolecular Theory and Simulations. 15: 394-403. DOI: 10.1002/Mats.200600021  0.625
2006 Coote ML, Izgorodina EI, Krenske EH, Busch M, Barner-Kowollik C. Quantum Chemical Mapping of Initialization Processes in RAFT Polymerization Macromolecular Rapid Communications. 27: 1015-1022. DOI: 10.1002/Marc.200600170  0.756
2006 Coote ML, Krenske EH, Izgorodina EI. Computational Studies of RAFT Polymerization–Mechanistic Insights and Practical Applications Macromolecular Rapid Communications. 27: 473-497. DOI: 10.1002/Marc.200500832  0.739
2006 Moran D, Jacob R, Wood GPF, Coote ML, Davies MJ, O'Hair RAJ, Easton CJ, Radom L. Rearrangements in model peptide-type radicals via intramolecular hydrogen-atom transfer Helvetica Chimica Acta. 89: 2254-2272. DOI: 10.1002/Hlca.200690210  0.5
2005 Hodgson JL, Coote ML. Effects of substituents on the stability of phosphoranyl radicals. The Journal of Physical Chemistry. A. 109: 10013-21. PMID 16838919 DOI: 10.1021/Jp053535T  0.655
2005 Izgorodina EI, Coote ML, Radom L. 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. The Journal of Physical Chemistry. A. 109: 7558-66. PMID 16834125 DOI: 10.1021/Jp052021R  0.679
2005 Coote ML. The kinetics of addition and fragmentation in reversible addition fragmentation chain transfer polymerization: An ab initio study. The Journal of Physical Chemistry. A. 109: 1230-9. PMID 16833434 DOI: 10.1021/Jp046131U  0.415
2005 Hodgson JL, Green KA, Coote ML. Should dithiophosphinate esters function as RAFT agents? Organic Letters. 7: 4581-4. PMID 16209484 DOI: 10.1021/Ol0516420  0.673
2005 Theis A, Stenzel MH, Davis TP, Coote ML, Barner-Kowollik C. A Synthetic Approach to a Novel Class of Fluorine-Bearing Reversible Addition - Fragmentation Chain Transfer (RAFT) Agents: F-RAFT Australian Journal of Chemistry. 58: 437. DOI: 10.1071/Ch05069  0.454
2005 Hodgson JL, Coote ML. Propagation Mechanisms in Ring-Opening Polymerization of Small Phosphorus Heterocycles: Toward Free-Radical Polymerization of Phosphines? Macromolecules. 38: 8902-8910. DOI: 10.1021/Ma051691S  0.681
2005 Coote ML, Henry DJ. Computer-aided design of a destabilized RAFT adduct radical: Toward improved RAFT agents for styrene-block-vinyl acetate copolymers Macromolecules. 38: 5774-5779. DOI: 10.1021/Ma050415A  0.386
2005 Purmova J, Pauwels KFD, Zoelen Wv, Vorenkamp EJ, Schouten AJ, Coote ML. New insight into the formation of structural defects in poly(vinyl chloride) Macromolecules. 38: 6352-6366. DOI: 10.1021/Ma050035P  0.394
2005 Coote ML, Henry DJ. Effect of substituants on radical stability in reversible addition fragmentation chain transfer polymerization: An ab initio study Macromolecules. 38: 1415-1433. DOI: 10.1021/Ma047814A  0.385
2004 Feldermann A, Coote ML, Stenzel MH, Davis TP, Barner-Kowollik C. Consistent experimental and theoretical evidence for long-lived intermediate radicals in living free radical polymerization. Journal of the American Chemical Society. 126: 15915-23. PMID 15571417 DOI: 10.1021/Ja046292B  0.514
2004 Sandala GM, Smith DM, Coote ML, Radom L. Suicide inactivation of dioldehydratase by glycolaldehyde and chloroacetaldehyde: an examination of the reaction mechanism. Journal of the American Chemical Society. 126: 12206-7. PMID 15453720 DOI: 10.1021/Ja047377F  0.632
2004 Henry DJ, Coote ML, Gómez-Balderas R, Radom L. Comparison of the kinetics and thermodynamics for methyl radical addition to C=C, C=O, and C=S double bonds. Journal of the American Chemical Society. 126: 1732-40. PMID 14871104 DOI: 10.1021/Ja039139A  0.538
2004 Coote ML. A Quantum-Chemical Approach to Understanding Reversible Addition Fragmentation Chain-Transfer Polymerization Australian Journal of Chemistry. 57: 1125-1132. DOI: 10.1071/Ch04083  0.371
2004 Coote ML. Ab Initio Study of the Addition-Fragmentation Equilibrium in RAFT Polymerization: When Is Polymerization Retarded? Macromolecules. 37: 5023-5031. DOI: 10.1021/Ma049444W  0.388
2004 Coote ML, Radom L. Substituent effects in xanthate-mediated polymerization of vinyl acetate: Ab initio evidence for an alternative fragmentation pathway Macromolecules. 37: 590-596. DOI: 10.1021/Ma035477K  0.554
2004 Coote ML. Reliable Theoretical Procedures for the Calculation of Electronic-Structure Information in Hydrogen Abstraction Reactions Journal of Physical Chemistry A. 108: 3865-3872. DOI: 10.1021/Jp049863V  0.341
2004 Beare KD, Coote ML. What influences barrier heights in hydrogen abstraction from thiols by carbon-centered radicals? A curve-crossing study Journal of Physical Chemistry A. 108: 7211-7221. DOI: 10.1021/Jp048092S  0.412
2004 Gómez-Balderas R, Coote ML, Henry DJ, Radom L. Reliable Theoretical Procedures for Calculating the Rate of Methyl Radical Addition to Carbon-Carbon Double and Triple Bonds Journal of Physical Chemistry A. 108: 2874-2883. DOI: 10.1021/Jp036375Z  0.539
2003 Coote ML, Pross A, Radom L. Variable trends in R-X bond dissociation energies (R = Me, Et, i-Pr, t-Bu). Organic Letters. 5: 4689-92. PMID 14627416 DOI: 10.1021/Ol035860+  0.469
2003 Coote ML, Radom L. Ab initio evidence for slow fragmentation in RAFT polymerization. Journal of the American Chemical Society. 125: 1490-1. PMID 12568604 DOI: 10.1021/Ja028645H  0.562
2003 Coote ML, Collins MA, Radom L. Calculation of accurate imaginary frequencies and tunnelling coefficients for hydrogen abstraction reactions using IRCmax Molecular Physics. 101: 1329-1338. DOI: 10.1080/0026897031000085092  0.467
2003 Gómez-Balderas R, Coote ML, Henry DJ, Fischer H, Radom L. What is the origin of the contrathermodynamic behavior in methyl radical addition to alkynes versus alkenes? Journal of Physical Chemistry A. 107: 6082-6090. DOI: 10.1021/Jp035042Z  0.561
2003 Coote ML, Gordon DH, Hutchings LR, Richards RW, Dalgliesh RM. Neutron reflectometry investigation of polymer-polymer reactions at the interface between immiscible polymers Polymer. 44: 7689-7700. DOI: 10.1016/J.Polymer.2003.09.023  0.571
2003 Coote ML, Davis TP. Effect of the copolymer composition on theK and ? constants of the Mark-Houwink equation: Comments on a recent article by Songkhla and Wootthikanokkhan Journal of Polymer Science Part B: Polymer Physics. 41: 655-659. DOI: 10.1002/Polb.10389  0.368
2003 Barner-Kowollik C, Coote ML, Davis TP, Radom L, Vana P. The reversible addition-fragmentation chain transfer process and the strength and limitations of modeling: Comment on "The magnitude of the fragmentation rate coefficient" Journal of Polymer Science, Part a: Polymer Chemistry. 41: 2828-2832. DOI: 10.1002/Pola.10854  0.617
2002 Coote ML, Wood GPF, Radom L. Methyl radical addition to C=S double bonds: Kinetic versus thermodynamic preferences Journal of Physical Chemistry A. 106: 12124-12138. DOI: 10.1021/Jp0267656  0.556
2002 Davis TP, Heuts JP, Barner-Kowollik C, Harrisson S, Morrison DA, Yee LH, Kapfenstein-Doak HM, Coote ML. Transfer and propagation reactions in free-radical copolymerization Macromolecular Symposia. 182: 131-148. DOI: 10.1002/1521-3900(200206)182:1<131::Aid-Masy131>3.0.Co;2-C  0.522
2000 Coote ML, Davis TP. Propagation rate coefficients for styrene solution polymerization in dimethyl formamide and acetonitrile European Polymer Journal. 36: 2423-2427. DOI: 10.1016/S0014-3057(00)00021-5  0.436
1999 Coote ML, Davis TP. Prediction and Measurement of Propagation Rate Coefficients in Terpolymerization Reactions. Part II. Experimental Study Polymer Reaction Engineering. 7: 363-377. DOI: 10.1080/10543414.1999.10744518  0.433
1999 Coote ML, Davis TP. Prediction and Measurement of Propagation Rate Coefficients in Terpolymerization Reactions. Part I. Derivation of Equations Polymer Reaction Engineering. 7: 347-361. DOI: 10.1080/10543414.1999.10744517  0.394
1999 Coote ML, Davis TP, Radom L. Conformational dependence of the penultimate unit effect in free-radical copolymerization Macromolecules. 32: 5270-5276. DOI: 10.1021/Ma990468Q  0.518
1999 Coote ML, Davis TP. Propagation Kinetics of Para-Substituted Styrenes:  A Test of the Applicability of the Hammett Relationship to Free-Radical Polymerization Macromolecules. 32: 4290-4298. DOI: 10.1021/Ma990146M  0.463
1999 Coote ML, Davis TP. Copolymerization Propagation Kinetics of Para-Substituted Styrenes:  A Critical Test of the Implicit Penultimate Model Macromolecules. 32: 3626-3636. DOI: 10.1021/Ma990077B  0.448
1999 Coote ML, Davis TP, Radom L. Effect of the penultimate unit on radical stability and reactivity in free-radical polymerization Macromolecules. 32: 2935-2940. DOI: 10.1021/Ma9818073  0.611
1999 Roberts GE, Coote ML, Heuts JPA, Morris LM, Davis TP. Radical Ring-Opening Copolymerization of 2-Methylene 1,3-Dioxepane and Methyl Methacrylate:  Experiments Originally Designed To Probe the Origin of the Penultimate Unit Effect Macromolecules. 32: 1332-1340. DOI: 10.1021/Ma9813587  0.456
1999 Coote ML, Davis TP, Radom L. The effect of remote substituents in free radical addition reactions: New evidence for the penultimate unit effect Journal of Molecular Structure: Theochem. 461: 91-96. DOI: 10.1016/S0166-1280(98)00427-8  0.626
1999 Coote M, Davis T. The mechanism of the propagation step in free-radical copolymerisation Progress in Polymer Science. 24: 1217-1251. DOI: 10.1016/S0079-6700(99)00030-1  0.506
1999 Coote ML, Davis TP. Assessment of errors in the determination of Mark-Houwink-Sakurada and Stockmayer-Fixman constants using size-exclusion chromatography with on-line viscometric detection: Analyses of poly(p-substituted styrenes) in tetrahydrofuran Journal of Polymer Science Part B: Polymer Physics. 37: 2557-2570. DOI: 10.1002/(Sici)1099-0488(19990915)37:18<2557::Aid-Polb2>3.0.Co;2-O  0.434
1998 Coote ML, Davis TP, Klumperman B, Monteiro MJ. A Mechanistic Perspective on Solvent Effects in Free-Radical Copolymerization Journal of Macromolecular Science, Part C: Polymer Reviews. 38: 567-593. DOI: 10.1080/15583729808546032  0.497
1998 Zammit MD, Coote ML, Davis TP, Willett GD. Effect of the ester side-chain on the propagation kinetics of alkyl methacrylates - An entropic or enthalpic effect? Macromolecules. 31: 955-963. DOI: 10.1021/Ma9707291  0.433
1997 Coote ML, Johnston LPM, Davis TP. Copolymerization Propagation Kinetics of Styrene and Methyl Methacrylate-Revisited. 2. Kinetic Analysis Macromolecules. 30: 8191-8204. DOI: 10.1021/Ma971052K  0.443
1997 Coote ML, Zammit MD, Davis TP, Willett GD. Copolymerization propagation kinetics of styrene and methyl methacrylate - Revisited. 1. Pulsed laser polymerization study Macromolecules. 30: 8182-8190. DOI: 10.1021/Ma971051S  0.402
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