49. Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Mol. Phys. in press.

48. 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.


47. 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.

46. 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.

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

44. 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.

43. 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.


42. 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.

41. 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 979-953-307-1090-0)

40. 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).

39. 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 Antti-Acute Promelocytic Leukemia (APL) Cell Line Activity Organometallics (2012), 31, 1808-1816.

38. 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.

37. 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.


36. 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.

35. 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.

34. 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.)

33. 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.

32. 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.

31. Lin C.Y., Gilbert A.T.B, Walker M.A. Interstellar Solid Hydrogen ApJ (2011), 736, 91.

30. 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.

29. 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.

28. 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.

27. 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.


26. 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.

25. 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.

24. 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.

23. 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.

22. 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.

21. 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.

20. 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.

19. Parker A.W., Lin C.Y., George M.W., Towrie M., Kuimova M.K., Infrared Characterization of the Guanine Radical Cation: Finger Printing DNA Damage J. Phys. Chem. B (2010) 114, 3660-3667.

18. 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.


17. 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.

16. 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.

15. 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.

14. 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.


13. 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.

12. 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 polymerization. J. Am. Chem. Soc. (2008), 130(38), 12762-12774.

11. Lin C.Y., Gilbert A.T.B., Gill P.M.W. Calculating Molecular Vibrational Spectra Beyond the Harmonic Approximation. Theo. Chem. Acc. (2008), 120, 23-35.

10. 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.


9. 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.

8. Kuimova M.K., Gill P.M.W., Lin C.Y., Matousek P., Sun X.Z., George M.W., Parker A.W. Picosecond Time-Resolved Infrared Study of 2-aminopurine Ionisation in Solution. Photochem. Photobiol. Sci. (2007), 6, 949.

7. 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.

6. 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.


5. Kuan S.L., Tay E.P.L., Leong W.K., Goh L.Y. , Lin C.Y., Gill P.M.W., Webster R.D. Highly Oxidized Ruthenium Organometallic Compounds. The Synthesis and One-Electron Elec trochemical Oxidation of [Cp*RuIVCl2(S2CR)] (Cp* = eta5-C5Me5, R = NM e2, NEt2, OiPr). Organometallics (2006), 25, 6134.

4. Wilson G.J., Lin C.Y., Webster R.D. Significant Differences in the Electrochemical Behaviour of the alpha-, beta-, gamma- and delta-Tocopherols (Vitamin E). J. Phys. Chem. B. (2006), 110, 11540.

3. Y. Shao, L. Fusti-Molnar, Y. Jung, J. Kussmann, C. Ochsenfeld, S.T. Brown, A.T.B. Gilbert, L.V. Slipchenko,S.V. Levchenko, D.P. O'Neill, R.A. Distasio Jr., R.C. Lochan, T. Wang, G.J.O. Beran, N.A. Besley, J.M. Herbert, C.Y. Lin, T. Van Voorhis, S.H. Chien, A. Sodt, R.P. Steele, V.A. Rassolov, P.E. Maslen, P.P. Korambath, R.D. Adamson, B. Austin, J. Baker, E.F.C. Byrd, H. Dachsel, R.J. Doerksen, A. Dreuw, B.D. Dunietz, A.D. Dutoi, T.R. Furlani, S.R. Gwaltney, A. Heyden, S. Hirata, C.-P. Hsu, G. Kedziora, R.Z. Khalliulin, P. Klunzinger, A.M. Lee, M.S. Lee, W. Liang, I. Lotan, N. Nair, B. Peters, E.I. Proynov, P.A. Pieniazek, Y.M. Rhee, J. Ritchie, E. Rosta, C.D. Sherrill, A.C. Simmonett, J.E. Subotnik, H.L. Woodcock III, W. Zhang, A.T. Bell, A.K. Chakraborty, D.M. Chipman, F.J. Keil, A. Warshel, W.J. Hehre, H.F. Schaefer III, J. Kong, A.I. Krylov, P.M.W. Gill, and M. Head-Gordon, Advances in methods and algorithms in a modern quantum chemistry program package. Phys. Chem. Chem. Phys. (2006), 8, 3172-3191.


2. Lee S.B., Lin C.Y., Gill P.M.W., Webster R.D. Transformation of alpha-Tocopherol (Vitamin E) and Related Chromanol Model Compounds into Their Phenoxonium Ions by Chemical Oxidation with the Nitrosonium Cation. J. Org. Chem. (2005), 70, 10466.


1. Lin C.Y., Gill P.M.W., George M.W. EDF2: A Density Functional for Predicting Molecular Vibrational Frequencies. Aust. J. Chem. (2004), 57, 365