Browsing by Author Radom, Leo
Showing results 50 to 69 of 94
Magnesium- and calcium- containing molecular dications: a high level theoretical study
Author(s) | Petrie, Simon; Radom, Leo |
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Type | Journal article |
Date Published | 1999 |
Date Created | - |
Methyl radical addition to C=S double bonds: Kinetic versus thermodynamic preferences
Author(s) | Coote, Michelle; Wood, Geoffrey; Radom, Leo |
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Type | Journal article |
Date Published | 2002 |
Date Created | - |
Modeling β-scission reactions of peptide backbone alkoxy radicals: backbone C-C bond fission
Author(s) | Wood, Geoffrey; Rauk, Arvi; Radom, Leo |
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Type | Journal article |
Date Published | 2005 |
Date Created | - |
Models for Free-Radical Copolymerization Propagation Kinetics
Author(s) | Coote, Michelle; Davis, Thomas P; Radom, Leo |
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Type | Conference paper |
Date Published | 2000 |
Date Created | Aug 22 2000 |
On the mechanism of action of vitamin B12: theoretical studies of the 2-methyleneglutarate mutase catalyzed rearrangement
Author(s) | Trebeck, Katherine; Golding, Bernard; Radom, Leo |
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Type | Journal article |
Date Published | 1999 |
Date Created | - |
Organic chemical applications of Ab initio molecular orbital theory : a collection of the published work of Leo Radom for the period 1970-1981
Author(s) | Radom, Leo |
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Type | Thesis (D. Sc.) |
Date Published | 1981 |
Date Created | - |
Outcome-changing effect of polarity reversal in hydrogen-atom-abstraction reactions
Author(s) | Chan, Bun; Easton, Christopher; Radom, Leo |
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Type | Journal article |
Date Published | 2015 |
Date Created | - |
Performance of density functional theory procedures for the calculation of proton-exchange barriers: Unusual behavior of M06-type functionals
Author(s) | Chan, Bun; Gilbert, Andrew; Gill, Peter, et al |
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Type | Journal article |
Date Published | 2014 |
Date Created | - |
Performance of gradient-corrected and hybrid density functional theory: role of the underlying local density approximation and the gradient correction
Author(s) | Chan, Bun; Gill, Peter; Radom, Leo |
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Type | Journal article |
Date Published | 2012 |
Date Created | - |
Performance of the RB3-LYP, RMP2 and UCCSD(T) procedures in calculating radical stabilization energies for NHX radicals
Author(s) | Wood, Geoffrey; Henry, David; Radom, Leo |
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Type | Journal article |
Date Published | 2003 |
Date Created | - |
Planar-tetracoordinate carbon in a neutral saturated hydrocarbon: theoretical design and characterization
Author(s) | Rasmussen, Danne; Radom, Leo |
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Type | Journal article |
Date Published | 1999 |
Date Created | - |
Proton-transport catalysis and proton-abstraction reactions: An ab initio dynamical study of X+HOC[sup +] and XH[sup +]+CO (X=Ne, Ar, and Kr)
Author(s) | Collins, Michael A.; Petrie, Simon; Chalk, Andrew, et al |
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Type | Journal article |
Date Published | 15-Apr-2000 |
Date Created | - |
Proton-transport catalysis, proton abstraction, and proton exchange in HF+HOC⁺ and H₂O+HOC⁺ and analogous deuterated reactions
Author(s) | Collins, Michael A.; Radom, Leo |
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Type | Journal article |
Date Published | 8-Apr-2003 |
Date Created | - |
Reactivities of amino acid derivatives toward hydrogen abstraction by Cl• and OH•
Author(s) | Chan, Bun; O'Reilly, Robert J; Easton, Christopher, et al |
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Type | Journal article |
Date Published | 2012 |
Date Created | - |
Rearrangement and fragmentation pathways of [C3H7Z]+ ions (Z = NH and S): are ion-neutral complexes important?
Author(s) | Chalk, Andrew; Mayer, R. John; Radom, Leo |
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Type | Journal article |
Date Published | 2000 |
Date Created | - |
Rearrangements in model peptide-type radicals via intramolecular hydrogen-atom transfer
Author(s) | Moran, Damian; Jacob, Rebecca; Wood, Geoffrey P F, et al |
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Type | Journal article |
Date Published | 2006 |
Date Created | - |
Reliable Theoretical Procedures for Calculating the Rate of Methyl Radical Addition to Carbon-Carbon Double and Triple Bonds
Author(s) | Gomez-Balderas, Rodolfo; Coote, Michelle; Henry, David, et al |
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Type | Journal article |
Date Published | 2004 |
Date Created | - |
Singlet-triplet splittings and barriers to Wolff rearrangement for carbonyl carbenes
Author(s) | Scott, Anthony; Platz, M; Radom, Leo |
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Type | Journal article |
Date Published | 2001 |
Date Created | - |
Strategic use of amino acid N -substituents to limit α-carbon-centered radical formation and consequent loss of stereochemical integrity
Author(s) | Croft, Anna; Easton, Christopher; Kociuba, Katherine, et al |
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Type | Journal article |
Date Published | 2003 |
Date Created | - |
Structures and thermochemistry of calcium-containing molecules
Author(s) | Haworth, Naomi; Sullivan, Michael; Wilson, Angela, et al |
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Type | Journal article |
Date Published | 2005 |
Date Created | - |
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