| Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ... Molecular Physics 113 (2), 184-215, 2015 | 3131 | 2015 |
| Advances in methods and algorithms in a modern quantum chemistry program package Y Shao, LF Molnar, Y Jung, J Kussmann, C Ochsenfeld, ST Brown, ... Physical Chemistry Chemical Physics 8 (27), 3172-3191, 2006 | 2958 | 2006 |
| Ab initio evaluation of the thermodynamic and electrochemical properties of alkyl halides and radicals and their mechanistic implications for atom transfer radical polymerization CY Lin, ML Coote, A Gennaro, K Matyjaszewski Journal of the American Chemical Society 130 (38), 12762-12774, 2008 | 292 | 2008 |
| Benchmark calculations of absolute reduction potential of ferricinium/ferrocene couple in nonaqueous solutions M Namazian, CY Lin, ML Coote Journal of chemical theory and computation 6 (9), 2721-2725, 2010 | 233 | 2010 |
| Estimation of standard reduction potentials of halogen atoms and alkyl halides AA Isse, CY Lin, ML Coote, A Gennaro The Journal of Physical Chemistry B 115 (4), 678-684, 2011 | 221 | 2011 |
| EDF2: A density functional for predicting molecular vibrational frequencies CY Lin, MW George, PMW Gill Australian journal of chemistry 57 (4), 365-370, 2004 | 179 | 2004 |
| Should contemporary density functional theory methods be used to study the thermodynamics of radical reactions? EI Izgorodina, DRB Brittain, JL Hodgson, EH Krenske, CY Lin, ... The Journal of Physical Chemistry A 111 (42), 10754-10768, 2007 | 174 | 2007 |
| Mechanism of carbon− halogen bond reductive cleavage in activated alkyl halide initiators relevant to living radical polymerization: theoretical and experimental study AA Isse, A Gennaro, CY Lin, JL Hodgson, ML Coote, T Guliashvili Journal of the American Chemical Society 133 (16), 6254-6264, 2011 | 157 | 2011 |
| A comparison of methods for measuring relative radical stabilities of carbon-centred radicals ML Coote, CY Lin, ALJ Beckwith, AA Zavitsas Physical Chemistry Chemical Physics 12 (33), 9597-9610, 2010 | 115 | 2010 |
| Ab initio study of the penultimate effect for the ATRP activation step using propylene, methyl acrylate, and methyl methacrylate monomers CY Lin, ML Coote, A Petit, P Richard, R Poli, K Matyjaszewski Macromolecules 40 (16), 5985-5994, 2007 | 103 | 2007 |
| Linear-free energy relationships for modeling structure–reactivity trends in controlled radical polymerization CY Lin, SRA Marque, K Matyjaszewski, ML Coote Macromolecules 44 (19), 7568-7583, 2011 | 88 | 2011 |
| Fast and catalyst-free hetero-Diels–Alder chemistry for on demand cyclable bonding/debonding materials KK Oehlenschlaeger, NK Guimard, J Brandt, JO Mueller, CY Lin, S Hilf, ... Polymer Chemistry 4 (16), 4348-4355, 2013 | 87 | 2013 |
| Phys. Chem. Chem. Phys. Y Shao, LF Molnar, Y Jung, J Kussmann, C Ochsenfeld, ST Brown, ... Phys. Chem. Chem. Phys 8, 3172, 2006 | 87 | 2006 |
| Transformation of α-tocopherol (vitamin E) and related chromanol model compounds into their phenoxonium ions by chemical oxidation with the nitrosonium cation SB Lee, CY Lin, PMW Gill, RD Webster The Journal of Organic Chemistry 70 (25), 10466-10473, 2005 | 86 | 2005 |
| How accurate are approximate methods for evaluating partition functions for hindered internal rotations? CY Lin, EI Izgorodina, ML Coote The Journal of Physical Chemistry A 112 (9), 1956-1964, 2008 | 84 | 2008 |
| Side reactions of nitroxide-mediated polymerization: N− O versus O− C cleavage of alkoxyamines JL Hodgson, LB Roskop, MS Gordon, CY Lin, ML Coote The Journal of Physical Chemistry A 114 (38), 10458-10466, 2010 | 81 | 2010 |
| The evolution of multiple active site configurations in a designed enzyme NS Hong, D Petrović, R Lee, G Gryn’ova, M Purg, J Saunders, P Bauer, ... Nature communications 9 (1), 3900, 2018 | 79 | 2018 |
| The role of exchange in systematic DFT errors for some organic reactions DRB Brittain, CY Lin, ATB Gilbert, EI Izgorodina, PMW Gill, ML Coote Physical Chemistry Chemical Physics 11 (8), 1138-1142, 2009 | 79 | 2009 |
| First principles prediction of the propagation rate coefficients of acrylic and vinyl esters: Are we there yet? CY Lin, EI Izgorodina, ML Coote Macromolecules 43 (1), 553-560, 2010 | 77 | 2010 |
| Calculating molecular vibrational spectra beyond the harmonic approximation CY Lin, ATB Gilbert, PMW Gill Theoretical Chemistry Accounts 120, 23-35, 2008 | 76 | 2008 |
