319. Liu, X.; Pollard, B.; Banwell, M.G.; Yu, L.; Coote, M.L.; Gardiner, M.G.; van Vugt-Lussenburg, B.M.A.; van der Burg, B.; Grasset, F.L.; Campillo, E.; Sherwood, J.; Byrne, F.; Farmer, T.J., Simple and Modestly Scalable Synthesis of iso-Cyrene from Levoglucosenone and Its Comparison to the Bio-Based and Polar Aprotic Solvent Cyrene® Aust J. Chem. (2022) accepted.

318. De Keer, L.; Van Steenberge, P.; Reyniers, M.-F.; Gryn’ova, G.; Aitken, H.A.; Coote, M.L., New Mechanism for Autoxidation of polyolefins: kinetic Monte Carlo Modelling of the Role of Short-chain Branches, Molecular Oxygen and Unsaturated Moieties Polym. Chem. (2022)

317. Wang, H.S.; Truong, N.P.; Pei, Z.; Coote, M.L.; Anastasaki, A., Reversing RAFT Polymerization: Near-Quantitative Monomer Generation via a Catalyst-Free Depolymerization Approach J. Am. Chem. Soc. (2022) 144, 4678–4684.

316. Low, K.; Coote, M.L.; Izgorodina, E.I., Inclusion of More Physics Leads to Less Data: Learning the Interaction Energy as a Function of Electron Deformation Density with Limited Training Data J. Chem. Theory Comput. (2022) 18, 1607−1618.

315. Shi , Q.; Pei, Z.; Song, J.; Li, S.-J.; Wei, D.; Coote, M.L.; Lan, Y., Diradical Generation via Relayed Proton-Coupled Electron Transfer J. Am. Chem. Soc. (2022) 144, 3137-3145.

314. Stewart, M.; Yu, L.; Sherburn, M.S.; Coote, M.L., Computational Design of Next Generation Atom Transfer Radical Polymerization Ligands Polym. Chem. (2022) 13, 1067 – 1074. 10.1039/D1PY01716K

313. Wang, J.Y.J.; Blyth, M.T.; Sherburn, M.S.; Coote, M.L., Tuning photoenolization-driven cycloadditions using theory and spectroscopy J. Am. Chem. Soc. (2022) 144, 1023-1033.

312. Tang, M.; Cameron, L.; Poland, E.M.; Yu, L. Moggach, S.A.; Fuller, R.O.; Huang, H.; Sun, J.; Thickett, S.C.; Massi, M.; Coote, M.L.; Ho, C.C; Bissember, A.C. Photoactive Metal Carbonyl Complexes Bearing N- Heterocyclic Carbene Ligands: Synthesis, Characterization and Viability as Photoredox Catalysts Inorg. Chem. (2022) 61, 1888-1898.

311. Yu, L.; Blyth, M.T.; Coote, M.L., Re-Examination of Proline-Catalyzed Intermolecular Aldol Reactions: An Ab Initio Kinetic Modelling Study Top. Catal. (2022) 65, 354-365.


310. Pei, Z.; Qiao, Q.; Gong, C.; Wei, D.; Coote, M.L., Electrostatic Effects in N-Heterocyclic Carbene Catalysis: Revealing the Nature of Catalysed Decarboxylation Phys. Chem. Chem. Phys. (2021) 23, 24627-24633.

309. Belotti, M.; Lyu, X.; Xu, L.; Halat, P.; Darwish, N.; Silvester, D.S.; Goh, C.; Izgorodina, E.I.; Coote, M.L.; Ciampi, S., Experimental Evidence of Long-Lived Electric Fields of Ionic Liquid Bilayers J. Am. Chem. Soc. (2021) 143, 17431–17440.

308. Audran, G.; Blyth, M.T.; Coote, M.L.; Gescheidt, G.; Hardy, M.; Havot, J.; Holzritter, M.; Jacoutot, S.; Joly, J.-P.; Marque, S.R.A.; Koumba, M.M.T.; Neschadin, D.; Vaiedelich, E., Homolysis/Mesolysis of Alkoxyamines Activated by Chemical Oxidation and Photochemical-triggered Radical Reactions at Room Temperature Org. Chem. Front. (2021) 8, 6561-6576.

307. Maddigan-Wyatt, J.T.; Blyth, M.T.; Ametovski, J.; Coote, M.L.; Hooper J.F.; Lupton, D.W., Redox isomerization/(3 + 2) allenoate annulation by auto-tandem phosphine catalysis Chem. Eur. J. (2021) 27, 16232-16236.

306. Mater, A.C.; Coote, M.L., Explainable Molecular Sets: Using Information Theory to Generate Meaningful Descriptions of Groups of Molecules J. Chem. Inf. Model. (2021) 61, 4877–4889.

305. Yu, L.; Cullen, D.A.; Morshedi, M.; Coote, M.L.; White, N.G., Room temperature hydrolysis of benzamidines and benzamidiniums in weakly basic water J. Org. Chem. (2021) 86, 13762–13767.

304. Pijning, A.E.; Blyth, M.T.; Coote, M.L.; Passam, F.; Chiu, J.; Hogg, P.J., An alternate covalent form of platelet αIIbβ3 integrin that resides in focal adhesions and has altered function, Blood (2021) 138, 1359–1372.

303. Delaney, A.; Yu, L.; Coote, M.L.; Colebatch, A.L., Synthesis of an expanded pincer ligand and its bimetallic coinage metal complexes, Dalton Trans. (2021) 50, 11909-11917.

302. Izadi,F.; Arthur-Baidoo, E.; Strover, L.T.; Yu, L.; Coote, M.L.; Moad, G.; Denifl, S., Selective bond cleavage in RAFT agents promoted by low-energy electron attachmentAngew. Chem. (2021) 60, 19128-19132.

301. Fung, A.K.K.; Yu, L.; Sherburn, M.S.; Coote, M.L., ATRP-Inspired Room Temperature (sp3)C–N CouplingJ. Org. Chem. (2021) 86, 9723–9732.

300. Yu, L.; Coote, M.L., Electrostatic Switching of Stereoselectivity in Aldol ReactionsJ. Org. Chem. (2021) 86, 9076–9083.

299. Uddin, N.; Langley, J.; Zhang, C.; Fung, A. K. K.; Lu, H.; Yin, X.; Liu, J.; Wan, Z.; Nguyen, H. T.; Li, Y., et al., Zero-emission multivalorization of light alcohols with self-separable pure H2 fuelAppl. Catal. B (2021), 292, 120212.

298. Goodwin, R.J.; Blyth, M.T.; Fung, A.K.K.; Smith, L.M.; Norcott, P.L.; Tanovic, S.; Coote, M.L.; White, N.G., Simple acyclic molecules containing a single charge-assisted O–H group can recognize anions in acetonitrile:water mixturesOrg. Bio. Chem. (2021), 19, 2794-2803.

297. Zhang, J; Coote, M.L.; Ciampi, S., Electrostatics and Electrochemistry: Mechanism and Scope of Charge-Transfer Reactions on the Surface of Tribocharged InsulatorsJ. Am. Chem. Soc. (2021) 143, 3019–3032

296. M. L. Coote, Quantum Chemical Studies of RAFT Polymerization, In: RAFT Polymerization: Methods, Synthesis and Applications, Second Edition, G. Moad; E. Rizzardo, Eds. WILEY-VCH GmbH; (2021) pp. 139-188

295. Marlton, S.J.P.; McKinnon, B.I.; Hill, N.S.; Coote, M.L.; Trevitt, A.J., Electrostatically Tuning the Photodissociation of the Irgacure 2959 Photoinitiator in the Gas Phase by Cation Binding J. Am. Chem. Soc., (2021) 143, 2331-2339

294. S. Ciampi; I. Diez-Perez; M. L. Coote; N. Darwish, Experimentally Harnessing Electric Fields in Chemical Transformations, In: Effects of Electric Fields on Structure and Reactivity: New Horizons in Chemistry, S. Shaik; T. Stuyver, Eds. Royal Society of Chemistry; (2021) pp. 71-118

293. M. T. Blyth; M. L. Coote, Recent advances in designed local electric fields, In: Effects of Electric Fields on Structure and Reactivity: New Horizons in Chemistry, S. Shaik; T. Stuyver, Eds. Royal Society of Chemistry; (2021) pp. 119-146

292. Fung, A.K.K.; Coote, M.L., A Mechanistic Perspective on Atom Transfer Radical PolymerizationPolym. Int., (2021), 70, 918-926.

291. Boer, S.A.; Yu, L.; Genet, T.L.; Low, K.; Cullen, D.A.; Gardiner, M.G.; Coote, M.L.; White, N.G., What’s in an atom? A comparison of carbon and silicon-centered amidinium···carboxylate frameworksChem. Eur. J., (2021) 27, 1768-1776


290. Vogel, Y.B.; Evans, C.W.; Belotti, M.; Xu, L.; Russell, I.C.; Yu, L.; Fung, A.K.K.; Hill, N.S.; Darwish, N.; Gonçales, V.R.; Coote, M.L.; Iyer, K.S.; Ciampi, S., The Corona of a Surface Bubble Promotes Electrochemical ReactionsNat. Comm., (2020), 11, 6323,

289. Rogers, F.J.M.; Norcott, P.L.; Coote, M.L., Recent Advances in the Chemistry of Benzo[e][1,2,4]triazinyl RadicalsOrg. Biol. Chem., (2020), 18, 8255-8277,

288. Stewart, S.G.; Harfoot, G.J.; McRae, K.J.; Teng, Y.; Yu, L.; Chen, B.; Cammi, R.; Coote, M.L.; Banwell, M.G.; Willis, A.C., 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]octenesJ. Org. Chem., (2020), 85, 20, 13080-13095,

287. Bathellier, C.; Yu, L.; Farquhar, G.D.; Coote, M.L.; Lorimer, G.; Tcherkez, G., Ribulose 1,5-bisphosphate carboxylase/oxygenase activates O2 by electron transferProc. Natl. Acad. Sci. U.S.A, (2020), 117, 24234-24242,

286. Hill, N.S.; Coote, M.L., Rational Design of Photo-cleavable Alkoxyamines for Polymerization and SynthesisPhys. Chem. Chem. Phys., (2020), 22, 19680-19686,

285. Nikahd, M.; Mikusek, J.; Banwell, M.G.; Yu, L.; Coote, M.L.; Gardiner, M.G., Further, Small-molecule Pyrolysis Products Derived from ChitinAust. J. Chem., (2020), 73, 1187-1196,

284. Xu, L.; Izgorodina, E.I.; Coote, M.L., Ordered Solvents and Ionic Liquids Can be Harnessed for Electrostatic CatalysisJ. Am. Chem. Soc., (2020), 142, 12826-12833,

283. Zhang, J.; Lalevée, J.; Hill, N. S.; Kiehl, J.; Zhu, D.; Cox, N.; Langley, J.; Stenzel, M. H.; Coote, M. L.; Xiao, P., Substituent Effects on Photoinitiation Ability of Monoaminoanthraquinone-based Photoinitiating Systems for Free Radical Photopolymerization under LEDsMacromol. Rapid Commun., (2020), 41, 2000166,

282. Zhang, J.; Su, C.; Rogers, F.J.M.; Darwish, N.; Coote, M.L.; Ciampi, S., Irreproducibility in the triboelectric charging of insulators: evidence of a non-monotonic charge versus contact time relationshipPhys. Chem. Chem. Phys., (2020), 22, 11671-11677,

281. Doan, V.; Noble, B.B.; Coote, M.L., Electrostatic Activation of TetrazolesJ. Org. Chem. (2020), 85, 15, 10091-10097,

280. Rogers, F.J.M.; Noble, B.B.; Coote, M.L., Computational Optimization of Alkoxyamine-Based Electrochemical MethylationJ. Phys. Chem. A (2020), 124, 29, 6104-6110,

279. Hill, N.S.; Noble, B.B.; Rogers, F.J.M.; Fung, A.K.K.; Coote, M.L. Computational Tools for Nitroxide Design, In Nitroxides: Synthesis, properties and applications, Ouari, O.; Gigmes, D., Eds. Royal Society of Chemistry; (2020) ISBN-10: 1788017528, ISBN-13: 978-1788017527.

278. Hill, N.S.; Fule, M.J.; Morris, J.; Clément, J.L.; Guillaneuf, Y.; Gigmes, D.; Coote, M.L., Mesolytic versus Homolytic Cleavage in Photochemical Nitroxide Mediated PolymerizationMacromolecules (2020), 53, 1567-1572.

277. Nikahd, M.; Mikusek, J.; Yu, L.; Coote, M.L.; Banwell, M.G.; Ma, C.; Gardiner, M.G., Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small Molecule Hetero- and Carbo-Cyclic Pyrolysis ProductsJ. Org. Chem. (2020), 85, 4583-4593.

276. Noble, B.B.; Nesvadba, P.; Coote, M.L., Mechanistic Insights into N-Acyloxyamine-Initiated Controlled Degradation of Polypropylene: The Unexpected Role of Keto-Enol Tautomerization in Carboxylate Radical ChemistryJ. Org. Chem. (2020), 85, 2338−2346.

275. Abreu, C.M.R.; Rezende, T.C.; Fonseca, A.C.; Guliashvili, T.; Bergerbit, C.; D’Agosto, F.; Yu, L.; Serra, A.C. ; Coote, M.L.; Coelho, J.F.J. Polymerization of Vinyl Chloride at Ambient Temperature using Macromolecular Design via the Interchange of Xanthate: Kinetic and Computational StudiesMacromolecules, (2020), 53, 190-202.

274. Blyth, M.T.; Noble, B.B.; Russell, I.C.; Coote, M.L. Oriented Internal Electrostatic Fields Cooperatively Promote Ground & Excited State Reactivity: A Case Study in Photochemical CO2 CaptureJ. Am. Chem. Soc., (2020), 142, 606-613.

273. Nothling, M.; Xiao, Z.; Hill, N.; Blyth, M.T.; Bhaskaran, A.; Sani, M.; Espinosa-Gomez, A.; Ngov, K.; White, J.; Buscher, T.; Separovic, F.; O’Mara, M.; Coote, M.L.; Connal, L.A., A Multi-Functional Surfactant Catalyst Inspired by HydrolasesScience Advances (2020), 6, eaaz0404.

272. Zhang, J.; Darwish, N.; Coote, M.L.; Ciampi, S., Static Electrification of Plastics under Friction: The Position of Engineering-Grade Polyethylene Terephthalate in the Triboelectric SeriesAdv. Eng. Mater. (2020), 22, 1901201.

271. Noble, B.B.; Coote, M.L., Isotactic regulation in the radical polymerization of calcium methacrylate: Is multiple chelation the key to stereocontrol? J. Polym. Sci. A Polym. Chem., (2020) 58 52-61.


270. Doan, V.; Noble, B.B.; Fung, A.K.K.; Coote, M.L. Rational Design of Highly Activating Ligands for Cu-based Atom Transfer Radical PolymerizationJ. Org. Chem. (2019) 84, 15624-15632.

269. Xu, L.; Coote, M.L., Improving the Accuracy of PCM-UAHF and PCM-UAKS Calculations Using Optimized Electrostatic Scaling FactorsJ. Chem. Theory Comput., (2019) 15, 6958-6967.

268. Hill, N.S.; Coote, M.L., A comparison of methods for theoretical photochemistry: Applications, successes and challengesAnnual Reports in Computational Chemistry, Chapter 7, Volume 15, 2019, Pages 203-285

267. Norcott, P.L.; Hammill, C.L.; Noble, B.B.; Robertson, J.C.; Olding, A.; Bissember, A.C.; Coote, M.L., TEMPO–Me: An Electrochemically Activated Methylating AgentJ. Am. Chem. Soc., (2019) 141, 15450−15455.

266. Peiris, C.R.; Vogel, Y.; Le Brun, A.P.; Aragonès, A.C.; Coote, M.L.; Díez-Pérez, I.; Ciampi, S.; Darwish, N., Metal‒single-molecule‒semiconductor junctions formed by a radical reaction bridging gold and silicon electrodes J. Am. Chem. Soc., (2019) 141, 14788−14797.

265. Xu, L.; Coote, M.L., 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 J. Phys. Chem. A, (2019) 123, 7430−7438.

264. Rogers, F.J.M.; Coote, M.L., Computational Assessment of Verdazyl Derivatives for Electrochemical Generation of Carbon-Centered Radicals J. Phys. Chem. C, (2019) 123, 20174−20180.

263. Hill, N.S.; Coote, M.L., Strategies for Red-Shifting Type I Photoinitiators: Internal Electric Fields vs Lewis Acids vs Increasing Conjugation Aust. J. Chem., (2019) 72, 627-632.

262. Crisp, A.L.; Noble, B.B.; Schwartz, B.D.; Willis, A.C.;Coote, M.L.; Banwell, M.G., The Synthesis, Structural Characterisation and Chemical Manipulation of the [6+3]Cycloadduct Derived from α‐Tropolone O‐Methyl Ether and Trimethylene Asian J. Org. Chem., (2019) 8, 1458-1467.

261. Zhang, J.; Lalevée, J.; Hill, N.S.; Peng, X.; Zhu, D.; Kiehl, J.; Morlet-Savary, F.; Stenzel, M.H.; Coote, M.L.; Xiao, P., Photoinitiation Mechanism and Ability of Monoamino-Substituted Anthraquinone Derivatives as Cationic Photoinitiators of Polymerization under LEDs Macromol. Rapid Commun., (2019) 40, 1900234.

260. Mater, A.C; Coote, M.L., Deep Learning in Chemistry J. Chem. Inf. Model., (2019) 59, 2545-2559.

259. Fang, C.; Fantin, M.; Pan, X.; de Fiebre, K.; Coote, M.L.; Matyjaszewski, K.; Liu, P., Mechanistically Guided Predictive Models for Ligand and Initiator Effects in Copper-Catalyzed Atom Transfer Radical Polymerization (Cu-ATRP) J. Am. Chem. Soc., (2019) 141, 7486−7497.

258. Rogers, F.J.M.; Coote, M.L., A Computational Evaluation of the Oxidative Cleavage of Triazine Derivatives for Electrosynthesis J. Phys. Chem. C, (2019) 123, 10306–10310.

257. Matioszek, D.; Mazières, S.; Brusylovets, O.; Lin, C.Y.; Coote, M.L.; Destarac, M.; Harrisson, S., Experimental and theoretical comparison of addition-fragmentation pathways of diseleno- and dithiocarbamate RAFT agentsMacromolecules, (2019) 52, 3376−3386.

256. Noble, B.B.; Norcott, P.L.; Hammill, C.L.; Ciampi, S.; Coote, M.L., The Mechanism of Oxidative Alkoxyamine Cleavage: The Surprising Role of Solvent and Supporting Electrolyte J. Phys. Chem. C, (2019) 123, 10300–10305.

255. Wang, G.; Hill, N.S.; Zhu, D.; Xiao, P. Coote, M.L.; Stenzel, M.H. An Efficient Photoinitiating System Based on Diaminoanthraquinone for 3D Printing of Polymer/Carbon Nanotube Nanocomposites Under Visible Light ACS Appl. Polym. Mat. , (2019) 1, 1129−1135.

254. Robertson, J.C.; Coote, M.L.; Bissember, A.C., Synthetic applications of light, electricity, mechanical force and flow Nat. Rev. Chem., (2019) 3, 290-304.

253. Zhang, J.; Rogers, F.J.M.; Darwish, N.; Gonçales, V.R.; Vogel, Y.B.; Wang, F.; Gooding, J.; Peiris, C.; Jia, G.; Veder, J.-P.; Coote, M.L.; Ciampi, S., Electrochemistry on tribocharged polymers is governed by the stability of surface charges rather than charging magnitude J. Am. Chem. Soc., (2019) 141, 5863-5870.

252. Hammill, C.L.; Noble, B.B.; Norcott, P.L.; Ciampi, S.; Coote, M.L., Effect of Chemical Structure on the Electrochemical Cleavage of Alkoxyamines J. Phys. Chem. C, (2019) 123, 5273–5281.

251. Blyth, M.T.; Coote, M.L., A pH-Switchable Electrostatic Catalyst for the Diels−Alder Reaction: Progress toward Synthetically Viable Electrostatic Catalysis J. Org. Chem., (2019) 84, 3, 1517-22.

250. Coote, M.L.; Degirmenci, I., Theory and Applications of Thiyl Radicals in Polymer Chemistry In: Computational Quantum Chemistry, Ed. Soroush, M., Elsevier (2019) pp 165-268. ISBN: 978-0-12-815983-5

249. Marshall, D.L.; Gryn’ova, G.; Poad, B.L.J.; Bottle, S.E.; Trevitt, A.J.; Coote, M.L.; Blanksby, S.J., Experimental evidence for long-range stabilizing and destabilizing interactions between charge and radical sites in distonic ionsInt. J. Mass Spec., (2019) 435, 195-203.

248. Yu, L.; Coote, M.L., Electrostatic Switching between SN1 and SN2 Pathways J. Phys. Chem. A, (2019) 123, 582–589.

247. Nothling, M.D.; Xiao, Z.; Bhaskaran, A.; Blyth, M.T.; Bennett, C.; Coote, M.L.; Connal, L.A., Synthetic Catalysts Inspired by Hydrolytic Enzymes ACS Catalysis, (2019) 9, 168-187.


246. Zhang, J.; Launay, K.; Hill, N.S.; Zhu, D.; Cox, N.; Langley, J.; Lalevée, J.; Stenzel, M.H.; Coote, M.L.; Xiao, P.Disubstituted Aminoanthraquinone-based Photoinitiators for Free Radical Polymerization and Fast 3D Printing under Visible Light Macromolecules, (2018) 51, 10104−10112.

245. Hill, N.S.; Coote, M.L., Internal Oriented Electric Fields as a Strategy for Selectively Modifying Photochemical Reactivity J. Am. Chem. Soc., (2018) 140, 17800−17804.

244. Sharp, P.P.; Mikusek, J.; Ho, J.; Krenske, E.H.; Banwell, M.G.; Coote, M.L.; Ward, J.S.; Willis, A.C., 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 J. Org. Chem., (2018) 83, 13678-13690.

243. Zhang, J.; Lalevée, J.; Hill, N.S.; Launay, K.; Morlet-Savary, F.; Graff, B.; Stenzel, M.H.; Coote, M.L.; Xiao, P.,Disubstituted Aminoanthraquinone-based Multicolor Photoinitiators: Photoinitiation Mechanism and Ability of Cationic Polymerization under Blue, Green, Yellow and Red LEDs Macromolecules, (2018) 51, 8165-8173.

242. Huang, Z.; Noble, B.B.; Corrigan, N.; Chu, Y.; Satoh, K.; Thomas, D.; Hawker, C.J.; Moad, G.; Kamigaito, M.; Coote, M.L.; Boyer, C.; Xu, J., Discrete and Stereospecific Oligomers Prepared by Sequential and Alternating Single Unit Monomer Insertion J. Am. Chem. Soc., (2018) 140, 13392-13406.

241. Hong, N.-S.; Petrović, D.; Lee, R.; Gryn’ova, G.; Purg, M.; Bauer, P.; Carr, P.D.; Lin, C.-Y.; Mabbitt, P.D.; Zhang, W.; Altamore, T.; Easton, C.J.; Coote, M.L.; Kamerlin, S.C.L.; Jackson, C.J., The evolution of multiple active site configurations in a designed enzyme Nature Comm., (2018) 9, 3900.

240. Zhang, L.; Domínguez Espíndola, R.B.; Noble, B.B.; Gonçales, V.R.; Wallace, G.G.; Darwish, N.; Coote, M.L.; Ciampi, S. Switchable Interfaces: Redox Monolayers on Si(100) by Electrochemical Trapping of Alcohol Nucleophiles Surfaces, (2018) 1, 3-11.

239. Smith, L.M.; Aitken, H.M.; Coote, M.L. The Fate of the Peroxyl Radical in Autoxidation: How Does Polymer Degradation Really Occur? Acc. Chem. Res., (2018) 51, 2006–2013.

238. Ciampi ,S.; Darwish, N.; Aitken, H.M.; Diez-Perez, I.; Coote, M.L. Harnessing Electrostatic Catalysis in Single Molecule, Electrochemical and Chemical Systems: A Rapidly Growing Experimental Tool Box Chem. Soc. Rev., (2018) 47, 5146-64.

237. Hill, N.S.; Noble, B.N.; Coote, M.L., Mechanistic Insights into Lewis Acid Mediated Sequence- and Stereo-control in Radical Copolymerization In Reversible Deactivation Radical Polymerization: From Mechanisms to Materials and Applications, Eds. Tsarevsky, N.; Gao, G.; Matyjaszewski, K.; Sumerlin, B., American Chemical Society (2018).

236. Zhang, J.; Hill, N.; Lalevée, J.; Fouassier, J.-P.; Zhao, J.; Graff, B.; Schmidt, T.W.; Kable, S.H.; Stenzel, M.H.; Coote, M.L.; Xiao, P., Multihydroxy-Anthraquinone Derivatives as Free Radical and Cationic Photoinitiators of Various Photopolymerizations under Green LED Macromol. Rapid Commun., (2018) 1800172.

235. Zhu, B.; Lee, R.; Yin, Y.; Li, F.; Coote, M.L.; Zhiyong, J., Enantioselective Vinylogous Amination of 5‐Alkyl-4-nitroisoxazoles with a Dipeptide-Based Guanidinium Phase-Transfer Catalyst Org. Lett., (2018) 20, 429-432.

234. Zhang, L.; Laborda, E.; Darwish, N.; Noble, B.B.; Tyrell, J.H.; Pluczyk, S.; Le Brun, A.P.; Wallace, G.G.; Gonzalez, J.; Coote, M.L.; Ciampi, S., Electrochemical and Electrostatic Cleavage of Alkoxyamines J. Am. Chem. Soc., (2018) 140, 766−774.

233. Zhang, K.; Noble, B.B.; Mater, A.C.; Monteiro, M.J.; Coote, M.L.; Zhongfan, J., Effect of heteroatom and functionality substitution on the oxidation potential of cyclic nitroxide radicals: role of electrostatics in electrochemistry Phys. Chem. Chem. Phys., (2018) 20, 2606-2614.

232. Aitken, H.M; Coote, M.L, Can Electrostatic Catalysis of Diels-Alder Reactions be Harnessed with pH-Switchable Charged Functional Groups? Phys. Chem. Chem. Phys., (2018) 20, 10671-10676.


231. Vogel, Y.B.; Zhang, L.; Darwish, N.; Gonçales, V.R.; Le Brun, A.; Gooding, J.J.; Molina, A.; Wallace, G.G.; Coote, M.L.; Gonzalez, J.; Ciampi, S., Reproducible flaws unveil electrostatic aspects of semiconductor electrochemistryNature Comm., (2017) 8, 2066.

230. Menzel, J.P.; Noble, B.B.; Lauer, A.; Coote, M.L.; Blinco, J.P.; Barner-Kowollik, C. Wavelength Dependence of Light-Induced Cycloadditions J. Am. Chem. Soc., (2017) 139, 15812-15820.

229. Li, Y.; Haworth, N.L.; Xiang, L.; Ciampi, S.; Coote, M.L.; Tao, N.J. Mechanical stretching-induced electron transfer reactions and conductance switching in single molecules J. Am. Chem. Soc., (2017) 139, 14699-14706.

228. Jiang, J.Y.; Smith, L.M.; Tyrell, J.H.; Coote, M.L.   Pulsed laser polymerisation studies of methyl methacrylate in the presence of AlCl3 and ZnCl2 – evidence of propagation catalysis Polym. Chem., (2017) 8, 5948–5953.

227. Gryn’ova, G.; Smith, L.M.; Coote, M.L., Computational Design of pH-Switchable Control Agents for Nitroxide Mediated Polymerization Phys. Chem. Chem. Phys., (2017) 19, 22678-22683.

226. Swann, E.T.; Fernandez, M.; Coote, M.L.; Barnard, A.S., Bias-Free Chemically Diverse Test Sets from Machine Learning ACS Comb. Sci., (2017) 19, 544–554.

225. Gardiner, J.; Martinez-Botella, I.; Kohl, T.M.; Moad, G.; Tyrell, J.H.; Coote, M.L.; Tsanaktsidis, J., 4-Halogeno-3,5-dimethyl-1H-pyrazole-1-carbodithioates: versatile RAFT agents with broad applicability Polym. Int., (2017) 66, 1438–1447.

224. Haworth, N.L.; Wang, Q.; Coote, M.L., Modelling Flexible Molecules in Solution: A pKa Case Study J. Phys. Chem. A, (2017) 121, 5217−5225.

223. Yan, Q.; Banwell, M.G.; Coote, M.L.; Lee, R.; Willis, A.C., Establishing the True Structure of the Sorbicillinoid-derived Isolate Rezishanone C by Total Synthesis Chem. Asian J., (2017) 2017, 12, 1480 – 1484.

222. Nothling, M.D.; Ganesan, A.; Condic-Jurkic, K.; Pressly, E.; Davalos, A.; Gotrik, M.; Xiao, Z.; Khoshdel, E.; Hawker, C.J.; O’Mara, M.L.; Coote, M.L.; Connal, L.A., Simple design of an enzyme inspired supported catalyst based on a catalytic triad Chem, (2017) 2, 731-745.

221. Ganesan, A.; Coote, M.L.; Barakat, K., Molecular ‘time-­‐machines’ to unravel key biological events for drug design WIREs Comput. Mol. Sci., (2017) 7, e1306.

220. Swann, E.T.; Coote, M.L.; Barnard, A.S.; Per, M.C., Efficient protocol for quantum Monte Carlo calculations of hydrogen abstraction barriers: Application to methanol Int. J. Quant. Chem., (2017) 117, e25361.

219. Ganesan, A.; Coote, M.L.; Barakat, K., Molecular dynamics-driven drug discovery: Leaping forward with confidence Drug Discov. Today, (2017) 22, 249-269.

218. Gryn’ova, G.; Coote, M.L., Directionality and the Role of Polarization in Electric Field Effects on Radical Stability Aust. J. Chem., (2017) 70, 367-372.


217. Degirmenci, I.; Coote, M.L., Understanding the Behaviour of Sulfur-Centred Radicals During Polymer Self-healing JOTCSA, (2016) 3, 707-720.

216. Mohamed, A.E; Condic-Jurkic, K.; Ahmed, F.H.; Yuan, P.; O’Mara, M.L.; Jackson, C.J.; Coote, M.L., Hydrophobic Shielding Drives Catalysis of Hydride Transfer in a Family of F420H2-Dependent Enzymes Biochemistry, (2016) 55, 6908–6918.

215. Noble, B.N.; Mater, A.C.; Smith, L.M.; Coote, M.L., The effects of Lewis acid complexation on type I radical photoinitiators and implications for pulsed laser polymerization Polym. Chem., (2016) 7, 6400–6412.

214. Degirmenci, I.; Coote, M.L., Effect of Substituents on the Stability of Sulfur-Centered Radicals J. Phys. Chem. A, (2016) 120, 7398−7403.

213. Lee,R; Coote, M.L.; Mechanistic insights into ozone-initiated oxidative degradation of saturated hydrocarbons and polymers Phys. Chem. Chem. Phys., (2016) 18, 24663-24671.

212. Brandt, J.; Haworth, N.L.; Schmidt, F.G.; Voit, B.; Coote, M.L.; Barner-Kowollik, C.; Lederer, A. Quantitative Analysis of Step-Growth Polymers by Size Exclusion Chromatography ACS Macro Lett., (2016) 5, 1023-1028

211. Lee, R.; Gryn’ova, G.; Ingold, K.U.; Coote, M.L., 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. Phys. Chem. Chem. Phys., (2016) 18, 23673-23679.

210. Qui, S.; Lee, R.; Zhu, B.; Coote, M.L.; Zhao, X.; Jiang, Z., Highly Enantio- and Diastereo-selective [4+2] Cycloaddition of 5H-oxazol-4-ones with N-Maleimides J. Org. Chem., (2016) 81, 8061-8069.

209. Zhang, L.; Vogel, Y.B.; Noble, B.B.; Gonçales, V.R.; Darwish, N.; Le Brun, A.; Gooding, J.J.; Wallace, G.G.; Coote, M.L; Ciampi, S. TEMPO monolayers on Si(100) electrodes; electrostatic effects by the electrolyte and semiconductor space-charge on the electroactivity of a persistent radical J. Am. Chem. Soc., (2016) 38, 9611–9619.

208. Zhu, B.; Qiu,S.; Li, J.; Coote, M.L.; Lee, R.; Jiang, Z., Asymmetric [4 + 2] annulation of 5H-thiazol-4-ones with a chiral dipeptide-based Brønsted base catalyst Chem. Sci., (2016) 7, 6060-6067.

207. Pahnke, K.; Haworth, N.L.; Brandt, J.; Paulmann, U.; Richter, C.; Schmidt, F.G.; Lederer, A.; Coote, M.L.; Barner-Kowollik, C., A mild, efficient and catalyst-free thermoreversible ligation system based on dithiooxalates Polym. Chem., (2016) 7, 3244–3250.

206. Lee, R.; Coote, M.L., Theoretical Investigation of Oxidative Cleavage of Cholesterol by Dual O2 Activation and Sulfide Reduction Aust. J. Chem., (2016) 69, 933-942.

205. Chen, R.; Lu, D.; Xie, Z.; Feng, J.; Jia, Z.; Ho, J.; Coote, M.L.; Wu, Y.; Monteiro, M.J.; Chung, S.-H.Peptidomimetic Star Polymers for Targeting Biological Ion Channels PLoS ONE, (2016) 11(3): e0152169.

204. Zavitsas, A.A.; Coote, M.L., Using inherent radical stabilization energies to predict unknown enthalpies of formation and associated bond dissociation energies of complex molecules Tetrahedron, (2016) 72, 7749-7756.

203. Degirmenci, I.; Coote, M.L., Comparison of Thiyl, Alkoxyl, and Alkyl Radical Addition to Double Bonds: The Unusual Contrasting Behavior of Sulfur and Oxygen Radical Chemistry J Phys. Chem. A, (2016) 120, 1750-1755.

202. Mabbitt, P.D.; Correy, G.J.; Meirelles, T.; Fraser, N.J.; Coote, M.L.; Jackson, C.J., Conformational disorganization within the active site of a recently evolved organophosphate hydrolase limits its catalytic efficiency Biochemistry, (2016) 55, 1408-1417.

201. Maximiano, P.; Mendonça, P.V.; Costa, J.R.C; Haworth, N.L.; Serra, A.C.; Guliashvili, T.; Coote, M.L.; Coelho, J.F.J., Ambient temperature transition metal-free dissociative electron transfer reversible addition-fragmentation chain transfer polymerization (DET-RAFT) of methacrylates, acrylates and styrene Macromolecules, (2016) 49, 1597-1604.

200. Aragonès, A.C.; Haworth, N.L.; Darwish, N.; Ciampi, S.; Bloomfield, N.J.; Wallace, G.G.; Diez-Perez, I.; Coote, M.L., Electrostatic catalysis of a Diels-Alder reaction Nature, (2016) 531, 88-91.

199. Abreu, C.M.R.; Mendonça, P.V.; Serra, A.C.; Noble, B.B.; Guliashvili, T.; Nicolas, J.; Coote, M.L.; Coelho, J.F.J.,Nitroxide-Mediated Polymerization of Vinyl Chloride at Low Temperature: Kinetic and Computational StudiesMacromolecules, (2016) 49, 490-498.

198. Mohamed, A. E.; Ahmed, F.H.; Arulmozhiraja, S.; Lin, C.Y.; Taylor, M.C.; Krausz, E.R.; Jackson, C.J.; Coote, M.L.,Protonation state of F420H2 in the prodrug-activating deazaflavin dependent nitroreductase (Ddn) from Mycobacterium tuberculosis Mol. Biosyst., (2016) 12, 1110-1113.

197. Nakamura, Y.; Lee, R. Coote, M.L; Yamago, S., Termination mechanism of the radical polymerization of acrylates: Elucidation of the reactivity of polymer-end and mid-chain radicals Macromol. Rapid Commun., (2016) 37, 506-513.

196. Zhu, B.; Lee, R.; Li, J.; Ye, X.; Hong, S.-N.; Qiu, S.; Coote, M.L.; Jiang, Z., Turning Chemoselective Switch in Asymmetric Organocatalysis of 5H-oxazol-4-ones and N-Itaconimides towards Tandem Conjugate Addition−Protonation or [4+2] Cycloaddition Angew. Chem., (2016) 55, 1299-1303.

195. Pahnke, K.; Brandt, J.; Gryn’ova, G.; Lin, C.Y.; Altintas, O.; Schmidt, F.G.; Lederer, A.; Coote, M.L.; Barner-Kowollik, C., Entropy-Driven Selectivity for Chain Scission: Where Macromolecules Cleave Angew. Chem., (2016) 55, 1514-1518.

194. Frick, E.; Schweigert, C.; Noble, B.B.; Ernst, H.A.; Lauer, A.; Liang, Y.; Voll, D.; Coote, M.L.; Unterreiner, A.-N.; Barner-Kowollik, C. Towards a Quantitative Description of Radical Photoinitiator Structure-Reactivity Correlations Macromolecules, (2016) 49, 80-89.


193. Arulmozhiraja, S.; Coote, M.L.; Hasegawa, J.-y. Electronic Structure of Azaindole and its excited state mixing: A symmetry-adapted cluster configuration interaction study J. Chem. Phys., (2015) 143, 204304.

192. Gryn’ova, G.; Coote, M.L.; Corminboeuf, C., Theory And Practice Of Uncommon Molecular Electronic Configurations WIREs Comput. Mol. Sci., (2015) 5, 440-459.

191. Noble, B.B.; Coote, M.L., Mechanistic Perspectives on Stereocontrol in Lewis Acid-Mediated Radical Polymerization: Lessons from Small-Molecule Synthesis Adv. Phys. Org. Chem., (2015) 49, 189-258.

190. Lederhose,P.; Haworth,N.L.; Thomas,K.; Bottle,S.E.; Coote,M.L.; Barner-Kowollik, C.; Blinco, J.P., Design of Redox/Radical Sensing Molecules via Nitrile Imine-2 Mediated Tetrazole-ene Cycloaddition (NITEC) J. Org. Chem., (2015) 80, 8009-8017.

189. Klinska, M.; Smith, L. M.; Gryn’ova, G.; Banwell, M. G.; Coote, M. L., Experimental Demonstration of pH-Dependent Electrostatic Catalysis of Radical Reactions Chem. Sci., (2015) 6, 5623–5627.

188. Ho J., Coote M.L., Cramer C.J., Truhlar D.G., Theoretical Calculation of Reduction Potentials In Organic Electrochemistry, 5th edition, O. Hammerich and B. Speiser, Eds., Taylor and Francis Group 2015, pp.229-259.

187. Noble, B.B.; Coote, M.L., Effects of ionization on tacticity and propagation kinetics in methacrylic acid polymerization In Controlled Radical Polymerization: Mechanisms, Matyjaszewski, K.; Sumerlin, B.S.; Tsarevsky, N.V.; Chiefari, J., Eds., American Chemical Society Publications, United States 2015, pp. 51-72.

186. Ciampi, S.; Eggers, P.K.; Haworth, N.L.; Darwish, N.; Wagner, P.; Coote, M.L.; Wallace, G.G.; Raston, C.L.,Decoloration rates of a photomerocyanine dye as a visual probe into hydrogen bonding interactions Chem. Commun., (2015) 51, 4815-4818.

185. Lu, D.; Arulmozhiraja, S.; Coote, M.L.; Rae, A.D.; Salem, G.; Willis, A.C.; Wild, S.B., Benhenda S., Breitenbach, V.L., de The, H., Zhai, X., Hogg, P.J., Dilda, P.J. Sulfur Derivatives of the Natural Polyarsenical Arsenicin A: Biologically Active, Organometallic Arsenic–Sulfur Cages Related to the Minerals Realgar and UzoniteOrganometallics, (2015) 34, 829-840.

184. Hancock, A.N.; Lobachevsky, S.; Haworth, N.L.; Coote, M.L.; Schiesser, C.H., The effect of leaving radical on the formation of tetrahydroselenophene by SHi ring closure: an experimental and computational study Org. Biol. Chem., (2015) 13, 2310-2316.

183. Pahnke, K.; Brandt, J.; Gryn’ova, G.; Lindner, P.; Schweins, R.; Schmidt, F.G.; Lederer, A.; Coote, M.L.; Barner-Kowollik, C., Entropy Driven Chain Effects on Ligation Chemistry Chemical Science, (2015) 6, 1061-1074.

182. Marshall, D.L.; Gryn’ova, G.; Coote, M.L.; Barker, P.J.; Blanksby, S.J. Experimental evidence for competitive N-O and O-C bond homolysis in gas-phase alkoxyamines Int. J. Mass Spec., (2015), 378, 38-47.

181. Stoutenburg, E.G.; Gryn’ova, G.; Coote, M.L.; Priefer, R., Chemical shift and coupling constant analysis of dibenzyloxy disulfides Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, (2015) 136, 1924-1931.


180. Marenich A.V., Ho J., Coote M.L., Cramer C.J., Truhlar D. G., Computational Electrochemistry: Prediction of Liquid-Phase Reduction Potentials Phys. Chem. Chem. Phys., (2014), 16, 15068-15106.

179. Anderson, P.; Petit, A.; Ho, J.; Mitoraj, M.P.; Coote, M.L.; Danovich, D.; Shaik, S.; Braida, B.; Ess, D.H.Protonated Alcohols Are Examples of Complete Charge-Shift Bonds J. Org. Chem., (2014), 79, 9998-10001.

178. Chen, R.; Gryn’ova, G.; Wu, Y.-L.; Coote, M.L.; Chung, S.-H. Mechanisms and energetics of potassium channel block by local anesthetics and antifungal agents  Biochemistry, (2014), 53, 6786-6792.

177. Bloch, W.M.; Burgun, A.; Coghlan, C.J.; Lee, R.; Coote, M.L.; Doonan, C.J.; Sumby, C.J. Capturing Snapshots of Inorganic Chemistry in Metal-Organic Frameworks Nature Chem., (2014), 6, 906-912.

176. Noble B. B., Smith L. M., Coote M.L., The Effect of LiNTf2 on the Propagation Rate Coefficient of Methyl Methacrylate Polym. Chem., (2014), 5, 4974-4983.

175. Coote M.L., Lin, C.Y., Zavitsas, A.A., Inherent and Transferable Stabilization Energies of Carbon- and Heteroatom-centred Radicals on the Same Relative Scale and Their Applications Phys. Chem. Chem. Phys., (2014), 16, 8686-8696.

174. Oehlenschlaeger, K. K.; Mueller, J. O.; Brandt, J.; Hilf, S.; Lederer, A.; Wilhelm, M.; Graf, R.; Coote, M. L.; Schmidt, F. G.; Barner-Kowollik, C. Adaptable Hetero Diels-Alder Networks for Fast Self-Healing under Mild Conditions Adv. Mater. (2014), 26, 3561-3566.

173. Paine, M. R. L.; Gryn’ova, G.; Coote, M. L.; Barker, P. J.; Blanksby, S. J. Desorption Electrospray Ionisation Mass Spectrometry Of Stabilised Polyesters Reveals Activation Of Hindered Amine Light Stabilisers Polym. Degrad. Stab. (2014) 99, 223-232.

172. Barner-Kowollik C., Beuermann S., Buback M., Castignolles P., Charleux B., Coote M.L., Hutchinson R.A., Junkers T., Lacik I., Russell G.T., Stach M., and van Herk A.M. Critically Evaluated Rate Coefficients in Radical Polymerization – 7. Secondary-Radical Propagation Rate Coefficients for Methyl Acrylate in Bulk Polym. Chem. (2014), 5, 204-212.


171. Altintas O., Riazi K., Lee R., Lin C.Y., Coote M.L., Wilhelm M., Barner-Kowollik C. RAFT-based Polystyrene and Polyacrylate Melts under Thermal and Mechanical Stress Macromolecules (2013), 46, 8079-8091.

170. Gryn’ova G., Coote M.L. Origin and scope of long-range stabilizing interactions and associated SOMO-HOMO conversion in distonic radical anions J. Am. Chem. Soc. (2013), 135, 15392-15403.

169. Lee R., Coote M.L. New insights into 1,2,4-trioxolane stability and the crucial role of ozone in promoting polymer degradation Phys. Chem. Chem. Phys. (2013), 15, 16428-16431.

168. Ho J., Zheng J., Meana-Pañed R., Truhlar D.G., Ko E.J., Savage G.P., Williams C.M., Coote M.L., and Tsanaktsidis J. Insights into the utility of chloroform as a hydrogen atom donor in Barton reductive decarboxylation reactions J. Org. Chem. (2013), 78, 6677-6687.

167. Oehlenschlaeger K.K., Guimard N.K., Brandt J., Mueller J.O., Lin C.Y., Hilf S., Lederer A., Coote M.L., Schmidt F.G., and Barner-Kowollik C. Fast and Catalyst-Free Hetero-Diels-Alder Chemistry for on Demand Cyclable Bonding/Debonding Materials Polym. Chem. (2013), 4, 4348-4355.

166. Gryn’ova G., Lin C.Y. and Coote M.L. Which Side-Reactions Compromise Nitroxide Mediated Polymerization?Polym. Chem. (2013), 4, 3744-3754.

165. Smith L.M. and Coote M.L. Effect of temperature and solvent on polymer tacticity in the free-radical polymerization of styrene and methyl methacrylate J. Polym. Sci. Part A: Polym. Chem. (2013), 51, 3351-3358.

164. Noble B.B. and Coote M.L. First Principles Modelling of Free-Radical Polymerization Kinetics Int. Rev. Phys. Chem. (2013), 32, 467-512.

163. Guimard N.K., Ho J., Brandt J., Lin C.Y., Namazian M., Mueller J.O., Oehlenschlager K.K., Hilf S., Lederer A., Schmidt F.G., Coote M.L., and Barner-Kowollik C. Harnessing Entropy to Direct the Bonding/Debonding of Polymer Systems Based on Reversible Chemistry Chem. Sci. (2013), 4, 2752-2759.

162. Gryn’ova G., Marshall D.L., Blanksby S.J. and Coote M.L. Switching Radical Stability By pH-Induced Orbital Conversion Nature Chem.(2013), 5, 474-481.

161. Aitken H., Horvat S., Coote M.L., Lin C.Y. and Schiesser C. Rate Coefficients For Intramolecular Homolytic Substitution Of Oxyacyl Radicals At Sulfur Aust. J. Chem. (2013), 66, 323-329.

160. Gryn’ova, G., Guliashvili T., Matyjaszewski K., and Coote M.L. Computational Evaluation of Sulphonyl Radical as a Universal Leaving Group for RAFT Polymerisation Aust. J. Chem. (2013), 66, 308-313.

159. Pasfield L.A., de la Cruz L., Ho J., Coote M.L., Otting G., and McLeod M.D. Synthesis of (±)-Panduratin A and Related Natural Products Using the High Pressure Dies-Alder Reaction Asian J. Org. Chem. (2013), 2, 60-63.


158. Biegasiewicz K.F., Ingalsbe M.L., St. Denis J.D., Gleason J.L., Ho J., Coote M.L., Savage G.P., Priefer R.Evaluation of a chiral cubane-based Schiff base ligand in asymmetric catalysis reactions Beil. J. Org. Chem., (2012) 8, 1814-1818.

157. Heinrich N., Willis A.C., Cade I.A., Ho J., Coote M.L., and Banwell M.G., Reversible Cyclopropane Ring-Cleavage Reactions within Etheno-Bridged [5.3.1]Propelladiene Frameworks Leading to Aza- and Oxa- []Fenestratetraenes Chem. Eur. J., (2012), 18, 13585-13588.

156. Sanders G.C., Duchateau R., Lin C.Y., Coote M.L., Heuts J.P.A. End-Functional Styrene-Maleic Anhydride Copolymers via Catalytic Chain Transfer Polymerization Macromolecules, (2012), 45, 5923-5933.

155. Gryn’ova G., Ingold K.U., Coote M.L., New Insights into the Mechanism of Amine/Nitroxide Cycling during the Hindered Amine Light Stabilizer Inhibited Oxidative Degradation of Polymers J. Am. Chem. Soc., (2012), 134, 12979-12988.

154. Namazian M., Zare H.R., Coote M.L., Theoretical Study of the Oxidation Mechanism of Hematoxylin in Aqueous Solution Aust. J. Chem. (2012), 65, 486-489

153. Filippov A.N., Chernikova E.V., Golubev V.B., Gryn’ova G., Lin C.Y., Coote M.L., Use of spin trap technique for kinetic investigation of elementary steps of RAFT-polymerization, In Nitroxides – Theory, Experiment and Applications, Kokorin A.I., Ed., InTech:Rijeka, Croatia (2012), Chapter 15, pp.407-436. (ISBN: 978-953-51-0722-4) fulltext

152. Coote M.L. Radical Reactivity by Computation and Experiment In: Matyjaszewski K and Möller M (eds.) Polymer Science: A Comprehensive Reference,Vol 3, pp. 3-58. Amsterdam: Elsevier BV.

151. Gryn’ova G., Barakat J.M., Blinco J.P., Bottle S.E., Coote M.L. Computational Design of Cyclic Nitroxides as Efficient Redox Mediators for Dye-Sensitized Solar Cells Chem. Eur. J. (2012), 18, 7582-7593.

150. Degirmenci I., Noble B.B., Lin C.Y., Coote M.L. The Mechanism of Stereoregulation in Free-Radical Polymerization of Bulky Methacrylates In Progress in Controlled Radical Polymerization: Mechanisms and Techniques, ACS Symposium Series, Vol. 1100, Matyjaszewski, K., Sumerlin, B.S., Tsarevsky, N.V., Eds., American Chemical Society 2012, Chapter 2, pp 15-32 (ISBN13: 9780841226999 eISBN: 9780841227002)

149. Abreu C.M.R., Mendonca P.V., Serra A.C., Coelho J.F.J., Popov A.V., Gryn’ova G., Coote M.L., Guliashvili T. Reversible addition-fragmentation chain transfer polymerization of vinyl chloride Macromolecules (2012), 45, 2200-2208.

148. Coote M.L. Ab Initio Kinetic Modeling of Free-Radical Polymerization in Rate Constant Calculation of Thermal Reactions: Methods and Applications ed. Herbert DaCosta (Wiley, New York), (2012), ISBN: 978-0-470-58230-5. pp. 283-304. 

147. Lu D., Coote M.L., Ho J., Kilah N.L., Lin C.-Y., Salem G., Weir M.L., Willis A.C., Wild S.B. Synthesis and Resolution of (±)-Arsenicin A: A Natural Adamantane-Type Tetraarsenical Possessing Strong Anti-Acute Promelocytic Leukemia (APL) Cell Line ActivityOrganometallics (2012), 31, 1808-1816.

146. Arulmozhiraja S., Coote M.L., 1La and 1Lb States of Indole and Azaindole: Is Density Functional Theory inadequate? J. Chem. Theory Comput. (2012), 8(2), 575-584.

145. Gordon D., Chen R., Ho J., Coote M.L., Chung S.-H. Rigid body Brownian dynamics as a tool for studying ion channel blockers J. Phys. Chem. B (2012), 116(6), 1933-1941.

144. Zhou J., Guimard N.K., Inglis A.J., Namazian M., Lin C.Y., Coote M.L., Spyrou E., Hilf S., Schmidt F.G., Barner-Kowollik C. Thermally Reversible Diels-Alder Based Polymerization: An Experimental and Theoretical Assessment Polym. Chem. (2012), 3, 628-639.

143. Aitken H.M., Horvat S.M., Schiesser C.H., Lin C.Y., Coote M.L. Rate Coefficients For Intramolecular Homolytic Substitution Of Oxyacyl Radicals At Selenium Int. J. Chem. Kinet. (2012), 44, 51-58.


142. Modglin II.J.D., Hayes V., Lin C.Y., Coote M.L., Poole J.S. Hammett Correlations in the Chemistry of 3-Phenylpropyl Radicals J. Phys. Chem. A (2011), 115, 14687-14696.

141. Lin C.Y., Marque S.R.A., Matyjaszewski K., Coote M.L. Linear-Free Energy Relationships for Modeling Structure-Reactivity Trends in Controlled Radical Polymerization Macromolecules (2011), 44, 7568-7583.

140. Junkers T., Barner-Kowollik C., Coote M.L. Revealing Model Dependencies in “Assessing the RAFT Equilibrium Constant via Model Systems: An EPR Study Macromol. Rapid Commun. (2011), 32, 1891-1898.

139. Golubev V.B., Filippov A.N., Chernikova E.V., Coote M.L., Lin C.Y., 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 Ser. C, (2011), 53, 14-26. 
(Original Russian Text: V.B. Golubev, A.N. Filippov, E.V. Chernikova, M.L. Coote, C.Y. Lin, G. Gryn’ova, published in Vysokomolekulyarnye Soedineniya, Ser. C, (2011), 53(7), 1180-1193.)

138. Yuriev E., Coote M.L. Molecular Modelling: Advances in Biomolecular and Materials Modelling Aust. J. Chem.(2011),64,885-886.

137. Ho J., Coote M.L., Easton C. J. 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 J. Org. Chem. (2011), 76, 5907-5914.

136. Coote M.L., Lin C.Y. Computational Methods for Modelling Free-Radical Polymerisation In Computational Methods for Large Systems: Electronic Structure Approaches for Biotechnology and Nanotechnology ed. J. R. Reimers, Wiley (2011),ISBN-13:9780470487884. pp. 435-474.

135. Ho J., Coote M.L. First Principles Prediction of Acidities in the Gas and Solution Phase WIREs Comput. Mol. Sci. (2011), 1, 649-660.

134. Marshall D.L., Christian M., Gryn’ova G., Coote M.L., Barker P.J., Blanksby S.J. Oxidation of 4-substituted TEMPO derivatives reveals selective modifications at the 1- and 4-positions Org. Biol. Chem. (2011), 9, 4936-4947

133. Lin C.Y., Coote M.L. An Ab Initio Investigation of the Chain Length Dependence of the Addition-Fragmentation Equilibria in RAFT Polymerization Aust. J. Chem. (2011), 64, 747-756.

132. Arulmozhiraja, S., Coote, M.L., Kitahara, Y., Juhász, M Fujii, T. Is Bisphenol A Biradical Formed in the Pyrolysis of Polycarbonate? J. Phys. Chem. A(2011), 115 (19), 4874-4881

131. Ho J., Coote M.L., Easton C.J. The distal effect of N-electron-withdrawing groups on the stability of peptide carbon radicals Aust. J. Chem. (2011), 64, 403-408.

130. Arulmozhiraja S., Coote M.L., Lu D., Salem G., Wild S.B. Origin of the unusual UV absorption of Arsenicin A J. Phys. Chem. A (2011), 115, 4530-4534.

129. Isse A.A., Gennaro A., Lin C.Y., Hodgson J.L., Coote M.C., Guliashvili T. Mechanism of Carbon-Halogen Bond Reductive Cleavage in Activated Alkyl Halide Initiators Relevant to Living Radical Polymerization: Theoretical and Experimental Study J. Am. Chem. Soc. (2011), 133, 6254-6264.

128. Modglin II J.D., Dunham J.C., Gibson C.W., Lin C.Y., Coote M.L., Poole J.S. A Computational Study of the Chemistry of 3-Phenylpropyl Radicals J. Phys. Chem A (2011), 115(11), 2431-2441.

127. Lin C.Y., Peh J., Coote M.L., Effects of Chemical Structure on the Thermodynamic Efficiency of Radical Chain Carriers for Organic Synthesis J. Org. Chem. (2011), 76(6), 1715-1726.

126. Farrokhpour H., Mombeini Z., Namazian M., Coote M.L. Intermolecular Potential Energy Surface for CS2Dimer J. Comp. Chem. (2011), 32(5), 797-809.

125. Isse A.A., Lin C.Y., Coote M.L., Gennaro A. Estimation of standard reduction potentials of halogen atoms and alkyl halides. J. Phys. Chem. B (2011), 115(4), 678-684.

124. Gryn’ova G., Hodgson J.L., Coote M.L. Revising the mechanism of polymer autooxidation. Org. Biomol. Chem. (2011), 9(2), 480-490.

123. Brittain D.R.B., Pandey R., Kumari K., Sharma P., Pandey G., Lal R., Coote M.L., Oakeshott J.G., Jackson C.J. Competing SN2 and E2 reaction pathways for hexachlorocyclohexane degradation in the gas phase, solution and enzymes. Chem. Commun. (2011), 47(3), 976-978.


122. Ho J., Klamt A., Coote M.L. Comment on the correct use of continuum solvent models. J. Phys. Chem. A (2010), 114(51), 13442–13444.

121. Chan B., Coote M.L., 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. J. Chem. Theory Comput. (2010), 6(9), 2647-2653.

120. Chernikova E., Golubev V., Filippov A., Lin C.Y., Coote M.L. Use of spin traps to measure the addition and fragmentation rate coefficients of small molecule RAFT-adduct radicals. Polym. Chem. (2010), 1(9), 1437-1440.

119. Coote M.L., Lin C.Y., Beckwith A.L.J., Zavitsas A.A. A comparison of methods for measuring relative radical stabilities of carbon-centred radicals. Phys. Chem. Chem. Phys. (2010), 12(33), 9597-9610.

118. Coote M.L., Lin C.-Y., Zipse H. The stability of carbon-centered radicals. In Carbon-Centered Free Radicals and Radical Cations: Structure, Reactivity and Dynamics. Forbes M.D.E., ed. John Wiley & Sons, Inc.: New Jersey (2010), pp. 83-104.

117. Coote M.L., Namazian M., Wild S.B. A computational study of the radical ring-opening polymerization of diphosphetanes. Aust. J. Chem. (2010), 63(8), 1189-1194.

116. Ho J., Coote M.L. A universal approach for continuum solvent pKa calculations: are we there yet? Theor. Chem. Acc. (2010), 125(1 – 2), 3 – 21.

115. Ho J., Coote M.L., Franco-Pérez M., Gómez-Balderas R. First-principles prediction of the pKas of anti-inflammatory oxicams. J. Phys. Chem. A (2010), 114(44), 11992-12003.

114. Ho J., Easton C.J., Coote M.L. The distal effect of electron-withdrawing groups and hydrogen bonding on the stability of peptide enolates. J. Am. Chem. Soc. (2010), 132(15), 5515 – 5521.

113. Hodgson J.L., Coote M.L. Clarifying the mechanism of the Denisov cycle: how do hindered amine light stabilizers protect polymer coatings from photo-oxidative degradation? Macromolecules (2010), 43(10), 4573 – 4583.

112. Hodgson J.L., Lin C.Y., Coote M.L., Marque S.R.A., Matyjaszewski K. Linear free-energy relationships for the alkyl radical affinities of nitroxides: a theoretical study. Macromolecules (2010), 43(8), 3728 – 3743.

111. Hodgson J.L., Roskop L.B., Gordon M.S., Lin C.Y., Coote M.L. Side reactions of nitroxide-mediated polymerization: N-O versus O-C cleavage of alkoxyamines. J. Phys. Chem. A (2010), 114(38), 10458-10466.

110. Kyne S.H., Lin C.Y., Ryu I., Coote M.L., Schiesser C.H. First determination of the rate constant for ring-closure of an azahexenoyl radical: 6-aza-7-ethyl-5-hexenoyl. Chem. Commun. (2010), 46(35), 6521-6523.

109. Lin C.Y., Izgorodina E.I., Coote M.L. First principles prediction of the propagation rate coefficients of acrylic and vinyl esters: are we there yet? Macromolecules (2010), 43(1), 553 – 560.

108. Namazian M., Lin C.Y., Coote M.L. Benchmark calculations of absolute reduction potential of ferricinium/ferrocene couple in nonaqueous solutions. J. Chem. Theory Comput. (2010), 6(9), 2721-2725.


107. Brittain D.R.B, Lin C.Y., Gilbert A.T.B., Izgorodina E.I., Gill P.M.W., Coote M.L. The role of exchange in systematic DFT errors for some organic reactions. Phys. Chem. Chem. Phys. (2009), 11(8), 1138-1142.

106. Coote M.L. Quantum-chemical modeling of free-radical polymerization. Macromol. Theory Simul. (2009), 18(7-8), 388-400.

105. Ho J., Coote M.L. pKa Calculation of some biologically important carbon acids – an assessment of contemporary theoretical procedures. J. Chem. Theory Comput. (2009), 5(2), 295-306.

104. Lin C.Y., Coote M.L. How well can theory predict addition-fragmentation equilibrium constants in RAFT polymerization? Aust. J. Chem. (2009), 62(11), 1479-1483.

103. Lin C.Y., Hodgson J.L., Namazian M., Coote M.L. Comparison of G3 and G4 theories for radical addition and abstraction reactions. J. Phys. Chem. A (2009), 113(15), 3690-3697.

102. Namazian M., Coote M.L. Gas-phase acidity, bond dissociation energy and enthalpy of formation of fluorine-substituted benzenes: a theoretical study. J. Fluorine Chem. (2009), 130(7), 621-628.

101. Namazian M., Coote M.L. Proton-transfer tautomerism and enthalpies of formation of some isoquinoline derivatives. J. Chem. Thermodyn. (2009), 41(12), 1446-1448.

100. Nebhani L., Sinnwell S., Lin C.Y., Coote M.L., Stenzel M.H., Barner-Kowollik C. Strongly electron deficient sulfonyldithioformate based RAFT agents for hetero Diels-Alder conjugation: computational design and experimental evaluation. J. Polym. Sci., Part A: Polym. Chem. (2009), 47(22), 6053-6071.

99. Zare H.R., Eslami M., Namazian M., Coote M.L. Experimental and theoretical studies of redox reactions of o-chloranil in aqueous solution. J. Phys. Chem. B (2009), 113(23), 8080-8085.

98. Zare H.R., Namazian M., Coote M.L. Experimental and theoretical studies of electrochemical characteristics of 3,4-dihydroxyphenylacetic acid (DOPAC). Electrochim. Acta (2009), 54(23),5353-5357.


97. Blinco J.P., Hodgson J.L., Morrow B.J., Walker J.R., Will G.D., Coote M.L., Bottle S.E. Experimental and theoretical studies of the redox potentials of cyclic nitroxides. J. Org. Chem. (2008), 73(17), 6763-6771.

96. Coote M.L., Dickerson A.B. The measurement and meaning of intrinsic radical stability: are chemical questions just problems in applied mathematics? Aust. J. Chem. (2008), 61(3), 163-167.

95. Coote M.L., Krenske E.H., Izgorodina E.I. Quantum-chemical studies of RAFT polymerization: methodology, structure-reactivity correlations and kinetic implications. In Handbook of RAFT Polymerization. Barner-Kowollik C, ed. Wiley-VCH: Weinheim, (2008), pp. 5-50.

94. Coote M.L., Krenske E.H., Porter K.A., Weir M.L., Willis A.C., Zhou X., Wild S.B. Asymmetric synthesis of a tertiary arsine by nucleophilic addition to a chiral phosphine-stabilized arsenium salt. Organometallics (2008), 27(19), 5099-5107.

93. Coote M.L., Krenske E.H., Maulana I., Steinbach J., Wild S.B. Reactivity of phosphiranes toward nucleophiles: theoretical and experimental investigations. Heteroatom Chem. (2008), 19(2), 178-181.

92. Lin C.Y., Coote M.L., 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 polymerizationJ. Am. Chem. Soc. (2008), 130(38), 12762-12774.

91. Lin C.Y., Izgorodina E.I., Coote M.L. How accurate are approximate methods for evaluating partition functions for hindered internal rotations? J. Phys. Chem. A (2008), 112(9), 1956-1964.

90. Lobachevsky S., Schiesser C.H., Lin C.Y., Coote M.L. First-principles prediction of rate coefficients for free-radical cyclization reactions at selenium. J. Phys. Chem. A (2008), 112(51), 13622-13627.

89. Namazian M., Coote M.L. G3 calculations of the proton affinity and ionization energy of dimethyl methylphosphonate. J. Chem. Thermodyn. (2008), 40(7), 1116-1119.

88. Namazian M., Coote M.L. Calculation of the enthalpies of formation and proton affinities of some isoquinoline derivatives. J. Chem. Thermodyn. (2008), 40(12), 1627-1631.

87. Namazian M., Siahrostami S., Coote M.L. Electron affinity and redox potential of tetrafluoro-p-benzoquinone: a theoretical study. J. Fluorine Chem. (2008), 129(3), 222-225.

86. Namazian M., Zakery M., Noorbala M.R., Coote M.L. Accurate calculation of the pKa of trifluoroacetic acid using high-level ab initio calculations. Chem. Phys. Lett. (2008) 451(1-3), 163-168.

85. Namazian M., Zare H.R., Coote M.L. Determination of the absolute redox potential of Rutin: experimental and theoretical studies. Biophys. Chem. (2008), 132(1), 64-68.

84. Purmová J., Pauwels K.F.D., Agostini M., Bruinsma M., Vorenkamp E.J., Schouten A.J., Coote M.L. Experimental and theoretical evaluation of the reactions leading to formation of internal double bonds in suspension PVC.Macromolecules (2008), 41(15), 5527-5539.

83. Tang W., Kwak Y., Braunecker W., Tsarevsky N.V., Coote M.L., Matyjaszewski K. Understanding atom transfer radical polymerization: effect of ligand and initiator structures on the equilibrium constants. J. Am. Chem. Soc.(2008), 130(32), 10702-10713.


82. Coote M.L. Copolymer in:McGraw-Hill Encyclopedia of Science & Technology, 10th ed., vol.4, McGraw-Hill, New York, (2007)

81. Coote M.L., Hodgson J.L., Krenske E.H., Namazian M., Wild S.B. Radical ring-opening polymerization of phosphorus heterocycles: computational design of suitable phosphetane monomers. Aust. J. Chem. (2007), 60(10), 744-753.

80. Coote M.L., Hodgson J.L., Krenske E.H., Wild S.B. Anionic ring-opening polymerization of small phosphorus heterocycles and their borane adducts: an ab initio investigation. Heteroat. Chem. (2007), 18(2), 118-128.

79. Harcourt R.D., Schaefer K., Coote M.L. Some comments on valence bond representations for the radical exchange reaction X + R:Y &; X:R + Y. J. Phys. Chem. A (2007), 111(50), 13278-13282.

78. Hodgson J.L., Namazian M., Bottle S.E., Coote M.L. One-electron oxidation and reduction potentials of nitroxide antioxidants: a theoretical study. J. Phys. Chem. A (2007), 111(51), 13595-13605.

77. Izgorodina E.I., Brittain D.R.B., Hodgson J.L., Krenske E.H., Lin C.Y., Namazian M., Coote M.L. Should contemporary density functional theory methods be used to study the thermodynamics of radical reactions? J. Phys. Chem. A (2007), 111(42), 10754-10768.

76. Izgorodina E.I., Lin C.Y., Coote M.L. Energy-directed tree search: an efficient systematic algorithm for finding the lowest energy conformation of molecules. Phys. Chem. Chem. Phys. (2007), 9(20), 2507-2516.

75. Krenske E.H., Coote M.L. Effects of substituents on the stabilities of phosphonyl radicals and their hydroxyphosphinyl tautomers. J. Phys. Chem. A (2007), 111(33), 8229-8240.

74. Lin C.Y., Coote M.L., 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(2007), 40(16), 5985-5994.

73. Longshaw A.I., Carland M.W., Krenske E.H., Coote M.L., Sherburn M.S. Tris(trimethylsilyl)methane is not an effective mediator of radical reactions. Tetrahedron Lett. (2007), 48(32), 5585-5588.

72. Namazian M., Coote M.L. Accurate calculation of absolute one-electron redox potentials of some para-quinone derivatives in acetonitrile. J. Phys. Chem. A (2007), 111(30), 7227-7232.


71. Ah Toy A., Chaffey-Millar H., Davis T.P., Stenzel M.H., Izgorodina E.I., Coote M.L., Barner-Kowollik C. Thioketone spin traps as mediating agents for free radical polymerization processes. Chem. Commun. (2006), (8), 835-837.

70. Barner-Kowollik C., Buback M., Charleux B., Coote M.L., Drache M., Fukuda T., Goto A., Klumperman B., Lowe A.B., Mcleary J.B., Moad G., Monteiro M.J., Sanderson R.D., Tongue M.P., Vana P. Mechanism and kinetics of dithiobenzoate-mediated RAFT polymerization. 1. The current situation. J. Polym. Sci., Part A: Polym. Chem.(2006), 44(20), 5809-5831.

69. Chaffey-Millar H., Izgorodina E.I., Barner-Kowollik C., Coote M.L. Radical addition to thioketones: computer-aided design of spin traps for controlling free-radical polymerization. J. Chem. Theory Comput. (2006), 2(6), 1632-1645.

68. Chaffey-Millar H., Stenzel M.H., Davis T.P., Coote M.L., Barner-Kowollik C. Design criteria for star polymer formation processes via living free radical polymerization. Macromolecules (2006), 39(19), 6406-6419.

67. Coote M.L., Barner-Kowollik C. Ab initio kinetic modelling in radical polymerization: a paradigm shift in reaction kinetic analysis. Aust. J. Chem. (2006), 59(10), 712-718.

66. Coote M.L., Easton C.J., Zard S.Z. Factors affecting the relative and absolute rates of Β-scission of alkoxythiocarbonyl radicals and alkoxycarbonyl radicals. J. Org. Chem. (2006), 71(13), 4996-4999.

65. Coote M.L., Izgorodina E.I., Cavigliasso G.E., Roth M., Busch M., Barner-Kowollik C. Addition-fragmentation kinetics of fluorodithioformates (F-RAFT) in styrene, vinyl acetate, and ethylene polymerization: an ab initioinvestigation. Macromolecules (2006), 39(13), 4585-4591.

64. Coote M.L., Izgorodina E.I., Krenske E.H., Busch M., Barner-Kowollik C. Quantum chemical mapping of initialization processes in RAFT polymerization. Macromol. Rapid Commun. (2006), 27(13), 1015-1022.

63. Coote M.L., Krenske E.H., Izgorodina E.I. Computational Studies of RAFT Polymerization-Mechanistic Insights and Practical Applications. Macromol. Rapid. Comm. (2006), 27(7), 473-497.

62. Izgorodina E.I., Coote M.L. Reliable low-cost theoretical procedures for studying addition-fragmentation in RAFT polymerization. J. Phys. Chem. A (2006), 110(7) 2486-2492.

61. Izgorodina E.I., Coote M.L. Accurate ab initio prediction of propagation rate coefficients in free-radical polymerisation: acrylonitrile and vinyl chloride. Chem. Phys. (2006), 324(1), 96-110.

60. Izgorodina E.I., Coote M.L. Is the addition-fragmentation step of the RAFT polymerisation process chain length dependent? Marcomol. Theory Simul. (2006), 15(5), 394-403.

59. Krenske E.H., Izgorodina E.I. Coote M.L. An ab initio guide to structure-reactivity trends in reversible addition fragmentation chain transfer polymerization. In Controlled/Living Radical Polymerization: From Synthesis to Materials, Matyjaszewski K, Ed., ACS Symposium Series Vol. 944, American Chemical Society: Washington DC (2006), pp. 406-420.

58. Moran D., Jacob R., Wood G.P.F., Coote M.L., Davies M.J., O’Hair R.A.J., Easton C.J., Radom L. Rearrangements in model peptide-type radicals via intramolecular hydrogen-atom transfer. Helv. Chim. Acta (2006), 89(10), 2254-2272.

57. Namazian M., Kalantary-Fotooh F., Noorbala M.R., Searles D.J., Coote M.L. Møller-Plesset perturbation theory calculations of the pKa values for a range of carboxylic acids. J. Mol. Struct.: THEOCHEM (2006), 758(2-3), 275-278.

56. Namazian M., Siahrostami S., Noorbala M.R., Coote M.L. Calculation of two-electron reduction potentials for some quinone derivatives in aqueous solution using Møller-Plesset perturbation theory. J. Mol. Struct.: THEOCHEM (2006), 759(1-3), 245-247.

55. Sandala G.M., Smith D.M., Coote M.L., Golding B.T., Radom L. Insights into the hydrogen-abstraction reactions of diol dehydratase: relevance to the catalytic mechanism and suicide inactivation. J. Am. Chem. Soc. (2006), 128(10), 3433-3444.

54. Sandala G.M., Smith D.M., Coote M.L., Radom L. Suicide inactivation in the coenzyme B12-dependent enzyme diol dehydratase. In Modelling Molecular Structure and Reactivity in Biological Systems, Naidoo K J, Brady J, Field M J, Gao J, Hann M, Eds., Royal Society of Chemistry: Cambridge, UK (2006), pp. 174-180.


Barner-Kowollik C.W., Coote M.L., Davis T.P., Stenzel M.H., Theis A. Polymerization agent. International Patent Number WO2006122344 A1 (2006), 54 pp.


53. Coote, M.L. The kinetics of addition and fragmentation in reversible addition fragmentation chain transfer polymerization: an ab initio study. J. Phys. Chem. A (2005), 109(6), 1230-1239.

52. Coote, M.L., Henry, D.J. Computer-aided design of a destabilized RAFT adduct radical: Toward improved RAFT agents for styrene-block-vinyl acetate copolymers. Macromolecules (2005), 38(13), 5774-5779.

51. Coote, M.L., Henry, D.J. Effect of substituents on radical stability in reversible addition fragmentation chain transfer polymerization: an ab initio study. Macromolecules (2005), 38(4), 1415-1433.

50. Hodgson, J.L., Coote, M.L. Propagation mechanisms in ring-opening polymerization of small phosphorus heterocycles: toward free-radical polymerization of phosphines? Macromolecules (2005), 38(21), 8902-8910.

49. Hodgson, J.L., Coote, M.L. Effects of substituents on the stability of phosphoranyl radicals. J. Phys. Chem. A(2005), 109(44), 10013-10021.

48. Hodgson, J.L., Green, K.A., Coote, M.L. Should dithiophosphinate esters function as RAFT agents? Org. Lett.(2005), 7(21), 4581-4584.

47. Izgorodina, E.I., Coote, M.L., 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. J. Phys. Chem. A (2005), 109(33), 7558-7566.

46. Jackson, C.J., Liu, J.-W., Coote, M.L., Ollis, D.L. The effects of substrate orientation on the mechanism of a phosphotriesterase. Org. Biomol. Chem. (2005), 3(24), 4343-4350.

45. Purmova, J., Pauwels, K.F.D., van Zoelen, W., Vorenkamp, E.J., Schouten, A.J., Coote, M.L. New insight into the formation of structural defects in poly(vinyl chloride). Macromolecules (2005), 38(15), 6352-6366.

44. Theis, A., Stenzel, M.H., Davis, T.P., Coote, M.L., Barner-Kowollik, C. A synthetic approach to a novel class of fluorine-bearing reversible addition-fragmentation chain transfer (RAFT) agents: F-RAFT. Aust. J. Chem. (2005), 58(6) 437-441.


Barner-Kowollik, C., Coote, M.L., Davis, T.P., Theis, A., Stenzel, M.H. Polymerisation agent. US Provisional Patent Application No. 60/682842, 40 pp.


43. Barner-Kowollik, C., Davis, T.P., Coote, M.L., Matyjaszewski, K., Vana, P. Copolymerization. In Encyclopedia of Polymer Science and Technology, 3rd Ed., Vol. 9, Mark, H.F., Ed. John Wiley & Sons: New York (2004), pp. 394–445.

42. Beare, K.D., Coote, M.L., What influences barrier heights in hydrogen abstraction from thiols by carbon-centered radicals? A curve-crossing study. J. Phys. Chem. A (2004), 108(35), 7211–7221.

41. Coote, M.L. Computational quantum chemistry for free-radical polymerization. In Encyclopedia of Polymer Science and Technology, 3rd Ed., Vol. 9, Mark, H.F., Ed. John Wiley & Sons: New York (2004), pp. 319–371.

40. Coote, M.L., Reliable theoretical procedures for the calculation of electronic-structure information in hydrogen abstraction reactions. J. Phys. Chem. A (2004), 108(17), 3865–3872.

39. Coote, M.L., Ab initio study of the addition-fragmentation equilibrium in RAFT polymerization: When is polymerization retarded? Macromolecules (2004), 37(13), 5023–5031.

38. Coote, M.L., A quantum-chemical approach to understanding reversible addition fragmentation chain-transfer polymerization. Aust. J. Chem. (2004), 57(12), 1125–1132.

37. Coote, M.L., Pross, A., Radom, L. Understanding alkyl substituent effects in R–O bond dissociation reactions in open- and closed-shell systems. In Fundamental World of Quantum Chemistry: A Tribute to the memory of Per-Olov Löwdin, Vol. 3, Brändas, E.J., Kryachko, E.S., Eds. Kluwer-Springer: Dordrecht (2004), pp. 563–579.

36. Coote, M.L., Radom, L. Substituent effects in xanthate-mediated polymerization of vinyl acetate: ab initio evidence for an alternative fragmentation pathway. Macromolecules (2004), 37(2), 590–596.

35. Feldermann, A., Coote, M.L., Stenzel, M.H., Davis, T.P., Barner-Kowollik, C. Consistent experimental and theoretical evidence for long-lived intermediate radicals in living free radical polymerization. J. Am. Chem. Soc. (2004), 126(48), 15915–15923.

34. Gómez-Balderas, R., Coote, M.L., Henry, D.J., Radom, L. Reliable theoretical procedures for calculating the rate of methyl radical addition to carbon-carbon double and triple bonds. J. Phys. Chem. A (2004), 108(15), 2874–2883.

33. Henry, D.J., Coote, M.L., 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. J. Am. Chem. Soc. (2004), 126(6), 1732–1740.

32. Sandala, G.M., Smith, D.M., Coote, M.L., Radom, L. Suicide inactivation of dioldehydratase by glycolaldehyde and chloroacetaldehyde: an examination of the reaction mechanism. J. Am. Chem. Soc. (2004), 126(39), 12206–12207.


31. Barner-Kowollik, C., Coote, M.L., Davis, T.P., 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”. J. Polym. Sci., Part A: Polym. Chem. (2003), 41, 2828-2832.

30. Coote, M.L., Collins, M.A., Radom, L. Calculation of accurate imaginary frequencies and tunnelling coefficients for hydrogen abstraction reactions using IRCmax. Mol. Phys. (2003), 101(9), 1329-1338.

29. Coote, M.L., Davis, T.P. Effect of the copolymer composition on the K and α constants of the Mark-Houwink equation: comments on a recent paper by Songkhla and Wootthikanokkhan. J. Polym. Sci., Part B: Polym. Phys.(2003), 41, 655-659.

28. Coote, M.L., Gordon, D.H., Hutchings, L.R., Richards, R.W., Dalgleish, R.C. Neutron reflectometry investigation of polymer-polymer reactions at the interface between immiscible polymers. Polymer (2003), 44, 7689-7700.

27. Coote, M.L., Pross, A., Radom, L. Variable trends in R-X bond dissociation energies (R = Me, Et, i-Pr, t-Bu). Org. Lett. (2003), 5, 4689-4692.

26. Coote, M.L., Radom, L. Ab initio evidence for slow fragmentation in RAFT polymerisation. J. Am. Chem. Soc.(2003), 125, 1490-1491.

25. Gómez-Balderas, R., Coote, M.L., Henry, D.J., Fischer, H., Radom, L. What is the origin of the contrathermodynamic behavior in methyl radical addition to alkynes versus alkenes. J. Phys. Chem. A (2003), 107, 6082-6090.


24. Coote, M.L., Davis, T.P. Copolymerization Kinetics. In: Handbook of Radical Polymerization, Eds. Matyjaszewski, K., Davis, T.P., John Wiley and Sons, Inc.: New York. (2002), pp 263-300.

23. Coote, M.L., Wood, P.F., Radom, L. Methyl radical addition to C=S double bonds: kinetic versus thermodynamic preferencesJ. Phys. Chem. A (2002), 106, 12124-12138.

22. Davis, T.P., Heuts, J.P.A., Barner-Kowollik, C., Harrisson, S., Morrison, D.A., Yee, L.H., Kapfenstein-Doak, H.M., Coote, M.L. Transfer and propagation reactions in free radical copolymerisation. Macromol. Symp. (2002), 182, 131-148.<131::AID-MASY131>3.0.CO;2-C


21. Coote, M.L., Davis, T.P. Solvent effects on free radical polymerization. In: Handbook of Solvents, Wypych, G., Ed. William Andrew Publishing: Norwich, NY. (2001), pp 777-797.


20. Coote, M.L., Davis, T.P. Propagation rate coefficients for styrene solution polymerization in dimethylformamide and acetonitrile. Eur. Polym. J. (2000), 36, 2423-2427.

19. Coote, M.L., Davis, T.P., Radom, L. Models for free-radical copolymerization propagation kineticsACS Symp. Ser. (2000), 768, 82-92.

18. Yee, L.H., Coote, M.L., Chaplin, R.P., Davis, T.P. Determination of propagation rate coefficients for an α-substituted acrylic ester: pulsed laser polymerization of dimethyl itaconate. J. Polym. Sci., Part A: Polym. Chem.(2000), 38, 2192-2200.<2192::AID-POLA80>3.0.CO;2-G


17. Coote, M.L., Davis, T.P. 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 tetrahydrofuranJ. Polym. Sci., Part B: Polym. Phys. (1999), 37, 2557-2570.<2557::AID-POLB2>3.0.CO;2-O

16. Coote, M.L., Davis, T.P. Copolymerization propagation kinetics of para-substituted styrenes: a critical test of the implicit penultimate model. Macromolecules (1999), 32, 3626-3636.

15. Coote, M.L., Davis, T.P. Prediction and measurement of propagation rate coefficients in terpolymerization reactions. Part 1. Derivation of equations. Polym. React. Eng. (1999), 7, 347-361.

14. Coote, M.L., Davis, T.P. Prediction and measurement of propagation rate coefficients in terpolymerization reactions. Part 2. Experimental studyPolym. React. Eng. (1999), 7, 363-377.

13. Coote, M.L., Davis, T.P. Propagation kinetics of para-substituted styrenes: a test of the applicability of the Hammett relationship to free-radical polymerisationMacromolecules (1999), 32, 4290-4298.

12. Coote, M.L., Davis, T.P. The mechanism of the propagation step in free-radical copolymerisation. Prog. Polym. Sci. (1999), 24, 1217-1251.

11. Coote, M.L., Davis, T.P., Radom, L. Conformational dependence of the penultimate unit effect in free-radical copolymerisationMacromolecules (1999), 32, 5270-5276.

10. Coote, M.L., Davis, T.P., Radom, L. Effect of the penultimate unit on radical stability and reactivity in free-radical polymerisationMacromolecules (1999), 32, 2935-2940.

9. Coote, M.L., Davis, T.P., Radom, L. The effect of remote substituents in free radical addition reactions: new evidence for the penultimate unit effectTHEOCHEM (1999), 461-462, 91-96.

8. Muratore, L.M., Coote, M.L., Davis, T.P. Determination of the propagation rate coefficient for 3-[tris(trimethylsilyloxy)silyl] propyl methacrylate by pulsed-laser polymerisation. Polymer (1999), 41, 1441-1447.

7. Roberts, G.E., Coote, M.L., Heuts, J.P.A., Morris, L.M., Davis, T.P. 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 (1999), 32, 1332-1340.


6. Coote, M.L., Davis, T.P., Klumperman, B., Monteiro, M.J. A mechanistic perspective on solvent effects in free-radical copolymerizationJ. Macromol. Sci., Rev. Macromol. Chem. Phys. (1998), C38, 567-593.

5. Heuts, J.P.A., Coote, M.L., Davis, T.P., Johnston, L.P.M. The measurement and meaning of radical reactivity ratiosACS Symp. Ser. (1998), 685, 120-144.

4. Zammit, M.D., Coote, M.L., Davis, T.P., Willett, G.D. Effect of the ester side-chain on the propagation kinetics of alkyl methacrylates – an entropic or enthalpic effect? Macromolecules (1998), 31, 955-963.


3. Coote, M.L., Zammit, M.D., Davis, T.P., Willett, G.D. Copolymerization propagation kinetics of styrene and methyl methacrylate-revisited. 1. Pulsed laser polymerization study. Macromolecules (1997), 30, 8182-8190.

2. Coote, M.L., Johnston, L.P.M., Davis, T.P. Copolymerization propagation kinetics of styrene and methyl methacrylate-revisited. 2. Kinetic analysis. Macromolecules (1997), 30, 8191-8204.


1. Coote, M.L., Zammit, M.D., Davis, T.P. Determination of free-radical rate coefficients using pulsed-laser polymerizationTrends Polym. Sci. (1996), 4, 189-196.