Browsing by Author Moran, Damian

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Showing results 1 to 14 of 14
Issue DateTitleAuthor(s)Citation
2006An assessment of theoretical procedures for predicting the thermochemistry and kinetics of hydrogen abstraction by methyl radical from benzeneHemelsoet, Karen; Moran, Damian; Radom, Leo; Van Speybroeck, Veronique; Waroquier, Michel; Chemistry; Chemistry; ChemistryAn assessment of theoretical procedures for predicting the thermochemistry and kinetics of hydrogen abstraction by methyl radical from benzene, The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol.110,(28),2006,pp 8942-8951
2005Bond dissociation energies and radical stabilization energies associated with model peptide-backbone radicalsMoran, Damian; Radom, Leo; Wood, Geoffrey; Jacob, Rebecca; Chemistry; Chemistry; ChemistryBond dissociation energies and radical stabilization energies associated with model peptide-backbone radicals, The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol.109,(28),2005,pp 6318-6325
2007Bond dissociation energies and radical stabilization energies: An assessment of contemporary theoretical proceduresMenon, Ambili; Moran, Damian; Radom, Leo; Wood, Geoffrey; Chemistry; Chemistry; Chemistry; ChemistryBond dissociation energies and radical stabilization energies: An assessment of contemporary theoretical procedures, The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol.111,(51),2007,pp 13638-13644
2007Carbene stabilization by aryl substituents. Is bigger better?Moran, Damian; Brooks, Bernard R; Schaefer, Henry F; Schleyer, Paul v; Woodcock, H Lee; ChemistryCarbene stabilization by aryl substituents. Is bigger better?, Journal of the American Chemical Society, vol.129,(12),2007,pp 3763-3770
2007An evaluation of harmonic vibrational frequency scale factorsMerrick, Jeffrey; Moran, Damian; Radom, Leo; Chemistry; Chemistry; ChemistryAn evaluation of harmonic vibrational frequency scale factors, The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol.111,(45),2007,pp 11683-11700
2006An experimental and theoretical investigation of gas-phase reactions of Ca2+ with glycineMoran, Damian; Radom, Leo; Corral, Ines; Mo, Otilia; Salpin, Jean-Yves; Tortajada, Jeanine; Yanez, Manuel; Chemistry; ChemistryAn experimental and theoretical investigation of gas-phase reactions of Ca2+ with glycine, Chemistry: A European Journal, vol.12,(26),2006,pp 6787-6796
2006Gas-phase regiocontrolled generation of charged amino acid and peptide radicalsMoran, Damian; Radom, Leo; Barlow, Christopher K.; Easton, Christopher J; Mortimer, Adam; O'Hair, Richard A J; Wee, Sheena; Wright, Suzanne; Chemistry; ChemistryGas-phase regiocontrolled generation of charged amino acid and peptide radicals, Chemical Communications, vol.2006,(40),2006,pp 4233-4235
2017Impact of hydrogen bonding on the susceptibility of peptides to oxidationMoran, Damian; Radom, Leo; Chan, Bun; Easton, Christopher J; Chemistry; ChemistryImpact of hydrogen bonding on the susceptibility of peptides to oxidation, Chemistry: An Asian Journal, vol.12, 13, 2017,pp 1485-1489
2005Intramolecular Diels-Alder reactions of ester-linked 1,3,8-nonatrienesMoran, Damian; Turner, Peter; Cayzer, Tory N; Paddon-Row, Michael N; Payne, Alan D; Sherburn, Michael; Chemistry; ChemistryIntramolecular Diels-Alder reactions of ester-linked 1,3,8-nonatrienes, The Journal of Organic Chemistry, vol.70,(14),2005,pp 5561-5570
2006Metal-mediated formation of gas-phase amino acid radical cationsMoran, Damian; Radom, Leo; Barlow, Christopher K.; McFadyen, W. David; O'Hair, Richard A J; Chemistry; ChemistryMetal-mediated formation of gas-phase amino acid radical cations, The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol.110,(27),2006,pp 8304-8315
2005On the origin of cis/trans stereoselectivity in intramolecular diels-alder reactions of substituted pentadienyl acrylates: A comprehensive density functional studyMoran, Damian; Jones, Garth A; Paddon-Row, Michael N; Sherburn, Michael; ChemistryOn the origin of cis/trans stereoselectivity in intramolecular diels-alder reactions of substituted pentadienyl acrylates: A comprehensive density functional study, The Journal of Organic Chemistry, vol.70,(26),2005,pp 10841-10853
2006The oxidation states of copper and iron in mineral sulfides, and the oxides formed on initial exposure of chalcopyrite and bornite to airMoran, Damian; Buckley, Alan N; Goh, Siew Wei; Lamb, Robert N; Rosenberg, Richard A; ChemistryThe oxidation states of copper and iron in mineral sulfides, and the oxides formed on initial exposure of chalcopyrite and bornite to air, Geochimica et Cosmochimica Acta, vol.70,(9),2006,pp 2210-2228
2006Popular theoretical methods predict benzene and arenes to be nonplanarMoran, Damian; Allen, Wesley D; Leach, Franklin E; Schaefer, Henry F; Schleyer, Paul v; Simmonett, Andrew C; ChemistryPopular theoretical methods predict benzene and arenes to be nonplanar, Journal of the American Chemical Society, vol.128,(29),2006,pp 9342-9343
2006Thermochemistry and Kinetics of Hydrogen Abstraction by Methyl Radical from Polycyclic Aromatic HydrocarbonsHemelsoet, Karen; Moran, Damian; Radom, Leo; Marin, Guy B; Van Speybroeck, Veronique; Waroquier, Michel; Chemistry; Chemistry; ChemistryThermochemistry and Kinetics of Hydrogen Abstraction by Methyl Radical from Polycyclic Aromatic Hydrocarbons, The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol.110,(50),2006,pp 13624-13631