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Results: 1-25/45
Authors:
Wetmore, SD
Smith, DM
Radom, L
Citation: Sd. Wetmore et al., Catalysis by mutants of methylmalonyl-CoA mutase: A theoretical rationalization for a change in the rate-determining step, CHEMBIOCHEM, 2(12), 2001, pp. 919-922
Authors:
Fischer, H
Radom, L
Citation: H. Fischer et L. Radom, Factors controlling the addition of carbon-centered radicals to alkenes-anexperimental and theoretical perspective, ANGEW CHEM, 40(8), 2001, pp. 1340-1371
Authors:
Solling, TI
Pross, A
Radom, L
Citation: Ti. Solling et al., A high-level ab initio investigation of identity and nonidentity gas-phaseS(N)2 reactions of halide ions with halophosphines, INT J MASS, 210(1-3), 2001, pp. 1-11
Authors:
Wetmore, SD
Schofield, R
Smith, DM
Radom, L
Citation: Sd. Wetmore et al., A theoretical investigation of the effects of electronegative substitutionon the strength of C-H center dot center dot center dot N hydrogen bonds, J PHYS CH A, 105(38), 2001, pp. 8718-8726
Authors:
Henry, DJ
Parkinson, CJ
Mayer, PM
Radom, L
Citation: Dj. Henry et al., Bond dissociation energies and radical stabilization energies associated with substituted methyl radicals, J PHYS CH A, 105(27), 2001, pp. 6750-6756
Authors:
Hartmann, M
Wetmore, SD
Radom, L
Citation: M. Hartmann et al., C-H center dot center dot center dot X hydrogen bonds of acetylene, ethylene, and ethane with first- and second-row hydrides, J PHYS CH A, 105(18), 2001, pp. 4470-4479
Authors:
Solling, TI
Radom, L
Citation: Ti. Solling et L. Radom, A G2 study of SH+ exchange reactions involving lone-pair donors and unsaturated hydrocarbons, CHEM-EUR J, 7(7), 2001, pp. 1516-1524
Authors:
Solling, TI
Smith, DM
Radom, L
Freitag, MA
Gordon, MS
Citation: Ti. Solling et al., Towards multireference equivalents of the G2 and G3 methods, J CHEM PHYS, 115(19), 2001, pp. 8758-8772
Authors:
Smith, DM
Golding, BT
Radom, L
Citation: Dm. Smith et al., Understanding the mechanism of B-12-dependent diol dehydratase: A synergistic retro-push-pull proposal, J AM CHEM S, 123(8), 2001, pp. 1664-1675
Authors:
Wetmore, SD
Smith, DM
Radom, L
Citation: Sd. Wetmore et al., Enzyme catalysis of 1,2-amino shifts: The cooperative action of B-6, B-12,and aminomutases, J AM CHEM S, 123(36), 2001, pp. 8678-8689
Authors:
Wetmore, SD
Smith, DM
Golding, BT
Radom, L
Citation: Sd. Wetmore et al., Interconversion of (S)-glutamate and (2S,3S)-3-methylaspartate: A distinctive B-12-dependent carbon-skeleton rearrangement, J AM CHEM S, 123(33), 2001, pp. 7963-7972
Authors:
Scott, AP
Platz, MS
Radom, L
Citation: Ap. Scott et al., Singlet-triplet splittings and barriers to Wolff rearrangement for carbonyl carbenes, J AM CHEM S, 123(25), 2001, pp. 6069-6076
Authors:
Henry, DJ
Radom, L
Citation: Dj. Henry et L. Radom, Theoretical thermochemistry of radicals, UNDERS CH R, 22, 2001, pp. 161-197
Authors:
Solling, TI
Radom, L
Citation: Ti. Solling et L. Radom, Exchange of Cl+ between lone-pair donors and pi-donors: a computational study, EUR J MASS, 6(2), 2000, pp. 153-160
Authors:
Solling, TI
Wild, SB
Radom, L
Citation: Ti. Solling et al., Formation of three-membered phosphorus heterocycles via ligand-exchange reactions in mono-adducts of the phosphenium ion: an ab initio investigation, INT J MASS, 201(1-3), 2000, pp. 205-213
Authors:
Chalk, AJ
Radom, L
Citation: Aj. Chalk et L. Radom, The involvement of ion-neutral complexes in ethylene loss from [PhC(CH3)(2)](+) and its isomers, INT J MASS, 199(1-3), 2000, pp. 29-40
Authors:
Chalk, AJ
Mayer, PM
Radom, L
Citation: Aj. Chalk et al., Rearrangement and fragmentation pathways of [C(3)H(7)Z](+) ions (Z = NH and S): are ion-neutral complexes important?, INT J MASS, 194(2-3), 2000, pp. 181-196
Authors:
Hartmann, M
Radom, L
Citation: M. Hartmann et L. Radom, The acetylene-ammonia dimer as a prototypical C-H center dot center dot center dot N hydrogen-bonded system: An assessment of theoretical procedures, J PHYS CH A, 104(5), 2000, pp. 968-973
Authors:
Senger, S
Radom, L
Citation: S. Senger et L. Radom, Toward a low-barrier transition-metal-free catalysis of hydrogenation reactions: A theoretical mechanistic study of HAlX4-catalyzed hydrogenations ofethene (X = F, Cl, and Br), J PHYS CH A, 104(31), 2000, pp. 7375-7385
Authors:
Solling, TI
Wild, SB
Radom, L
Citation: Ti. Solling et al., Are the approach directions of sigma and pi nucleophiles to the sulfur atom of thiiranium and thiirenium ions different?, CHEM-EUR J, 6(4), 2000, pp. 590-591
Authors:
Rasmussen, DR
Radom, L
Citation: Dr. Rasmussen et L. Radom, Hemispiroalkaplanes: Hydrocarbon cage systems with a pyramidal-tetracoordinate carbon atom and remarkable basicity, CHEM-EUR J, 6(13), 2000, pp. 2470-2483
Authors:
Scott, AP
Radom, L
Citation: Ap. Scott et L. Radom, Are cumulenones kinked? A systematic high-level ab initio study of H2CCCO,H2CCCCO and H2CCCCCO, J MOL STRUC, 556(1-3), 2000, pp. 253-261
Authors:
Collins, MA
Petrie, S
Chalk, AJ
Radom, L
Citation: Ma. Collins et al., Proton-transport catalysis and proton-abstraction reactions: An ab initio dynamical study of X+HOC+ and XH++CO (X=Ne, Ar, and Kr), J CHEM PHYS, 112(15), 2000, pp. 6625-6634
Authors:
Wetmore, SD
Smith, DM
Radom, L
Citation: Sd. Wetmore et al., How B-6 helps B-12: The roles of B-6, B-12, and the enzymes in aminomutase-catalyzed reactions, J AM CHEM S, 122(41), 2000, pp. 10208-10209
Authors:
Senger, S
Radom, L
Citation: S. Senger et L. Radom, Zeolites as transition-metal-free hydrogenation catalysts: A theoretical mechanistic study, J AM CHEM S, 122(11), 2000, pp. 2613-2620