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Browsing by Author Radom, Leo

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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
TypeJournal article
Date Published1999
Date Created-

A G2 study of SH + exchange reactions involving lone-pair donors and unsaturated hydrocarbons

Author(s)Solling, Theis; Radom, Leo
TypeJournal article
Date Published2001
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
TypeJournal article
Date Published2001
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
TypeJournal article
Date Published2001
Date Created-

Ab Initio Evidence for Slow Fragmentation in RAFT Polymerization

Author(s)Coote, Michelle; Radom, Leo
TypeJournal article
Date Published2003
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
TypeJournal article
Date Published2003
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
TypeJournal article
Date Published2002
Date Created-

An assessment of theoretical procedures for the calculation of reliable radical stabilization energies

Author(s)Parkinson, Christopher; Mayer, R. John; Radom, Leo
TypeJournal article
Date Published1999
Date Created-

Are cumulenones kinked? A systematic high-level ab initio study of H2CCCO, H2CCCCO and H2CCCCCO

Author(s)Scott, Anthony; Radom, Leo
TypeJournal article
Date Published2000
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
TypeJournal article
Date Published1999
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
TypeJournal article
Date Published2005
Date Created-

Bond dissociation energies and radical stabilization energies associated with substituted methyl radicals

Author(s)Henry, David; Parkinson, Christopher; Mayer, Paul, et al
TypeJournal article
Date Published2001
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
TypeJournal article
Date Published2001
Date Created-

Calculation of accurate imaginary frequencies and tunnelling coefficients for hydrogen abstraction reactions using IRCmax

Author(s)Coote, Michelle; Collins, Michael; Radom, Leo
TypeJournal article
Date Published2003
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
TypeJournal article
Date Published2001
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
TypeJournal article
Date Published2004
Date Created-

Conformational dependence of the penultimate unit effect in free-radical copolymerization

Author(s)Coote, Michelle; Davis, Thomas P; Radom, Leo
TypeJournal article
Date Published1999
Date Created-

Design of Radical-Resistant Amino Acid Residues: A Combined Theoretical and Experimental Investigation

Author(s)Croft, Anna; Easton, Christopher; Radom, Leo
TypeJournal article
Date Published2003
Date Created-

Divergent mechanisms of suicide inactivation for ethanolamine ammonia-lyase

Author(s)Sandala, Gregory; Smith, David M; Radom, Leo
TypeJournal article
Date Published2005
Date Created-

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