Browsing by Author Coote, Michelle L

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Showing results 1 to 11 of 11
Issue DateTitleAuthor(s)Citation
2004Comparison Of The Kinetics And Thermodynamics For Methyl Radical Addition To C=C, C=O, And C=S Double BondsGomez-Balderas, Rodolfo; Radom, Leo; Coote, Michelle L; Henry, David J; Chemistry; ChemistryComparison 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, vol.126,(6),2004,pp 1732-1740
2010G4-SP, G4(MP2)-SP, G4-sc, and G4(MP2)-sc: Modifications to G4 and G4(MP2) for the treatment of medium-sized radicalsChan, Bun; Radom, Leo; Coote, Michelle L; Chemistry; ChemistryG4-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, vol.6, 9,pp 2647-2653
2006Insights into the hydrogen-abstraction reactions of diol dehydratase: Relevance to the catalytic mechanism and suicide inactivationRadom, Leo; Sandala, Gregory; Coote, Michelle L; Golding, Bernard T; Smith, David M; Chemistry; ChemistryInsights into the hydrogen-abstraction reactions of diol dehydratase: Relevance to the catalytic mechanism and suicide inactivation, Journal of the American Chemical Society, vol.128,(10),2006,pp 3433-3444
2009The mechanism of action of coenzyme B12: A computational approach (INVITED LECTURE)Baric, Danijela; Bucher, Denis; Durbeej, Bo; Kovacevic, Borislav; Radom, Leo; Sandala, Gregory; Coote, Michelle L; Golding, Bernard T; Marsh, E Neil G; Smith, David M; Wetmore, Stacey D; Chemistry; Physics; Chemistry; Chemistry; Chemistry; ChemistryThe mechanism of action of coenzyme B12: A computational approach (INVITED LECTURE), N/A, vol.N/A,(),2009,pp 24-24
2006Rearrangements in model peptide-type radicals via intramolecular hydrogen-atom transfer.Davies, Michael; Coote, Michelle L; Easton, Christopher J; Jacob, Rebecca; Moran, D; O'Hair, Richard A J; Radom, L; Wood, Geoffrey P F; Central Clinical School: Heart Research InstituteRearrangements in model peptide-type radicals via intramolecular hydrogen-atom transfer., Helvetica Chimica Acta, vol.89,(10),2006,pp 2254-2272
2004Reliable Theoretical Procedures For Calculating The Rate Of Methyl Radical Addition To Carbon-Carbon Double And Triple BondsGomez-Balderas, Rodolfo; Radom, Leo; Coote, Michelle L; Henry, David J; Chemistry; ChemistryReliable Theoretical Procedures For Calculating The Rate Of Methyl Radical Addition To Carbon-Carbon Double And Triple Bonds, The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol.108,(15),2004,pp 2874-2883
2004Substituent Effects In Xanthate-Mediated Polymerization Of Vinyl Acetate: Ab Initio Evidence For An Alternative Fragmentation PathwayRadom, Leo; Coote, Michelle L; ChemistrySubstituent Effects In Xanthate-Mediated Polymerization Of Vinyl Acetate: Ab Initio Evidence For An Alternative Fragmentation Pathway, Macromolecules, vol.37,(2),2004,pp 590-596
2004Suicide Inactivation Of Dioldehydratase By Glycolaldehyde And Chloroacetaldehyde: An Examination Of The Reaction MechanismRadom, Leo; Sandala, Gregory; Coote, Michelle L; Smith, David M; Chemistry; ChemistrySuicide Inactivation Of Dioldehydratase By Glycolaldehyde And Chloroacetaldehyde: An Examination Of The Reaction Mechanism, Journal of the American Chemical Society, vol.126,(39),2004,pp 12206-12207
2005Trends 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 theoryRadom, Leo; Coote, Michelle L; Izgorodina, Ekaterina I; ChemistryTrends 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 Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol.109,(33),2005,pp 7558-7566
2004Understanding Alkyl Substituent Effects In R-O Bond Dissociation Reactions In Open- And Closed-Shell SystemsRadom, Leo; Coote, Michelle L; Pross, Addy; ChemistryUnderstanding 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 Lowdin, Volume 3, Kluwer Academic Publishers, 2004, pp. 563-579
2003What is the origin of the contrathermodynamic behavior in methyl radical addition to alkynes versus alkenes?Gomez-Balderas, Rodolfo; Radom, Leo; Coote, Michelle L; Fischer, Hanns; Henry, David J; Chemistry; ChemistryWhat is the origin of the contrathermodynamic behavior in methyl radical addition to alkynes versus alkenes?, Journal of Physical Chemistry Part A : Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol.107,(31),2003,pp 6082-6090