Browsing by Author Radom, Leo
Showing results 1 to 20 of 95
A G2 ab initio investigation of ligand-exchange reactions involving mono- and bis-adducts of the phosphenium ion
Author(s) | Solling, Theis; Wild, Stanley (Bruce); Radom, Leo |
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Type | Journal article |
Date Published | 1999 |
Date Created | - |
A G2 study of SH + exchange reactions involving lone-pair donors and unsaturated hydrocarbons
Author(s) | Solling, Theis; Radom, Leo |
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Type | Journal article |
Date Published | 2001 |
Date Created | - |
A high-level ab initio investigation of identity and non-identity gas-phase S N 2 reactions of halide ions with halophosphines
Author(s) | Solling, Theis; Pross, Andy; Radom, Leo |
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Type | Journal article |
Date Published | 2001 |
Date Created | - |
A theoretical investigation of the effects of electronegative substitution on the strength of C-H•••N hydrogen bonds
Author(s) | Wetmore, Stacey; Schofield, Robyn; Trebeck, Katherine, et al |
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Type | Journal article |
Date Published | 2001 |
Date Created | - |
Ab Initio Evidence for Slow Fragmentation in RAFT Polymerization
Author(s) | Coote, Michelle; Radom, Leo |
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Type | Journal article |
Date Published | 2003 |
Date Created | - |
Alkoxy radicals in the gaseous phase: β-scission reactions and formation by radical addition to carbonyl compounds
Author(s) | Rauk, Arvi; Boyd, Russell; Boyd, Susan, et al |
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Type | Journal article |
Date Published | 2003 |
Date Created | - |
An assessment of the performance of high-level theoretical procedures in the computation of the heats of formation of small open-shell molecules
Author(s) | Henry, David; Parkinson, Christopher; Radom, Leo |
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Type | Journal article |
Date Published | 2002 |
Date Created | - |
An assessment of theoretical procedures for the calculation of reliable radical stabilization energies
Author(s) | Parkinson, Christopher; Mayer, R. John; Radom, Leo |
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Type | Journal article |
Date Published | 1999 |
Date Created | - |
Are cumulenones kinked? A systematic high-level ab initio study of H2CCCO, H2CCCCO and H2CCCCCO
Author(s) | Scott, Anthony; Radom, Leo |
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Type | Journal article |
Date Published | 2000 |
Date Created | - |
Are pi-ligand exchange reactions of thiirenium and thiiranium ions feasible? An ab initio investigation
Author(s) | Solling, Theis; Wild, Stanley (Bruce); Radom, Leo |
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Type | Journal article |
Date Published | 1999 |
Date Created | - |
Bond dissociation energies and radical stabilization energies associated with model peptide-backbone radicals
Author(s) | Wood, Geoffrey P F; Moran, Damian; Jacob, Rebecca, et al |
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Type | Journal article |
Date Published | 2005 |
Date Created | - |
Bond dissociation energies and radical stabilization energies associated with substituted methyl radicals
Author(s) | Henry, David; Parkinson, Christopher; Mayer, Paul, et al |
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Type | Journal article |
Date Published | 2001 |
Date Created | - |
C-H•••X hydrogen bonds of acetylene, ethylene, and ethane with first- and second-row hydrides
Author(s) | Hartmann, Michael; Wetmore, Stacey; Radom, Leo |
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Type | Journal article |
Date Published | 2001 |
Date Created | - |
Calculation of accurate imaginary frequencies and tunnelling coefficients for hydrogen abstraction reactions using IRCmax
Author(s) | Coote, Michelle; Collins, Michael; Radom, Leo |
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Type | Journal article |
Date Published | 2003 |
Date Created | - |
Catalysis by mutants of methylmalonyl-CoA mutase: a theoretical rationalization for a change in the rate-determining step
Author(s) | Wetmore, Stacey; Trebeck, Katherine; Radom, Leo |
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Type | Journal article |
Date Published | 2001 |
Date Created | - |
Comparison of the Kinetics and Thermodynamics for Methyl Radical Addition to C=C, C=O, and C=S Double Bonds
Author(s) | Henry, David; Coote, Michelle; Gomez-Balderas, Rodolfo, et al |
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Type | Journal article |
Date Published | 2004 |
Date Created | - |
Conformational dependence of the penultimate unit effect in free-radical copolymerization
Author(s) | Coote, Michelle; Davis, Thomas P; Radom, Leo |
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Type | Journal article |
Date Published | 1999 |
Date Created | - |
Cyanovinyl radical: an illustration of the poor performance of unrestricted perturbation theory and density functional theory procedures in calculating radical stabilization energies
Author(s) | Parkinson, Christopher; Mayer, R. John; Radom, Leo |
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Type | Journal article |
Date Published | 1999 |
Date Created | - |
Design of Radical-Resistant Amino Acid Residues: A Combined Theoretical and Experimental Investigation
Author(s) | Croft, Anna; Easton, Christopher; Radom, Leo |
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Type | Journal article |
Date Published | 2003 |
Date Created | - |
Divergent mechanisms of suicide inactivation for ethanolamine ammonia-lyase
Author(s) | Sandala, Gregory; Smith, David M; Radom, Leo |
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Type | Journal article |
Date Published | 2005 |
Date Created | - |
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