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Results: 1-23 |
Results: 23
Theoretical studies of electron and hydrogen transfer reactions between semiquinone radicals and oxygen
Authors: Wang, YN Eriksson, LA
Citation: Yn. Wang et La. Eriksson, Theoretical studies of electron and hydrogen transfer reactions between semiquinone radicals and oxygen, THEOR CH AC, 106(1-2), 2001, pp. 158-162
Molecular dynamics simulations of plastoquinone in solution
Authors: Nilsson, JA Eriksson, LA Laaksonen, A
Citation: Ja. Nilsson et al., Molecular dynamics simulations of plastoquinone in solution, MOLEC PHYS, 99(3), 2001, pp. 247-253
Molecular dynamics simulations of ubiquinone; a survey over torsional potentials and hydrogen bonds
Authors: Nilsson, JA Lyubartsev, A Eriksson, LA Laaksonen, A
Citation: Ja. Nilsson et al., Molecular dynamics simulations of ubiquinone; a survey over torsional potentials and hydrogen bonds, MOLEC PHYS, 99(21), 2001, pp. 1795-1804
B3LYP studies of the formation of neutral tyrosyl radical Y-Z(center dot) and regeneration of neutral tyrosine Y-Z in PSII
Authors: Wang, YN Eriksson, LA
Citation: Yn. Wang et La. Eriksson, B3LYP studies of the formation of neutral tyrosyl radical Y-Z(center dot) and regeneration of neutral tyrosine Y-Z in PSII, INT J QUANT, 83(3-4), 2001, pp. 220-229
A theoretical study of 5-halouracils: electron affinities, ionization potentials and dissociation of the related anions
Authors: Wetmore, SD Boyd, RJ Eriksson, LA
Citation: Sd. Wetmore et al., A theoretical study of 5-halouracils: electron affinities, ionization potentials and dissociation of the related anions, CHEM P LETT, 343(1-2), 2001, pp. 151-158
Hydroxyl radical reactions with phenol as a model for generation of biologically reactive tyrosyl radicals
Authors: Lundqvist, MJ Eriksson, LA
Citation: Mj. Lundqvist et La. Eriksson, Hydroxyl radical reactions with phenol as a model for generation of biologically reactive tyrosyl radicals, J PHYS CH B, 104(4), 2000, pp. 848-855
Experimental and theoretical investigation of the mechanism of radiation-induced radical formation in hydrogen-bonded cocrystals of 1-methylcytosine and 5-fluorouracil
Authors: Close, DM Eriksson, LA Hole, EO Sagstuen, E Nelson, WH
Citation: Dm. Close et al., Experimental and theoretical investigation of the mechanism of radiation-induced radical formation in hydrogen-bonded cocrystals of 1-methylcytosine and 5-fluorouracil, J PHYS CH B, 104(39), 2000, pp. 9343-9350
Structure of a transient neutral histidine radical in solution: EPR continuous-flow studies in a Ti3+/EDTA-Fenton system and density functional calculations
Authors: Lassmann, G Eriksson, LA Lendzian, F Lubitz, W
Citation: G. Lassmann et al., Structure of a transient neutral histidine radical in solution: EPR continuous-flow studies in a Ti3+/EDTA-Fenton system and density functional calculations, J PHYS CH A, 104(40), 2000, pp. 9144-9152
Substituent effects on OH bond strength and hyperfine properties of phenol, as model for modified tyrosyl radicals in proteins
Authors: Himo, F Eriksson, LA Blomberg, MRA Siegbahn, PEM
Citation: F. Himo et al., Substituent effects on OH bond strength and hyperfine properties of phenol, as model for modified tyrosyl radicals in proteins, INT J QUANT, 76(6), 2000, pp. 714-723
Electron affinities and ionization potentials of nucleotide bases
Authors: Wetmore, SD Boyd, RJ Eriksson, LA
Citation: Sd. Wetmore et al., Electron affinities and ionization potentials of nucleotide bases, CHEM P LETT, 322(1-2), 2000, pp. 129-135
Oxidative degradation of pyruvate formate-lyase
Authors: Gauld, JW Eriksson, LA
Citation: Jw. Gauld et La. Eriksson, Oxidative degradation of pyruvate formate-lyase, J AM CHEM S, 122(9), 2000, pp. 2035-2040
Thermodynamics of the photoenzymic repair mechanism studied by density functional theory
Authors: Durbeej, B Eriksson, LA
Citation: B. Durbeej et La. Eriksson, Thermodynamics of the photoenzymic repair mechanism studied by density functional theory, J AM CHEM S, 122(41), 2000, pp. 10126-10132
Catalytic mechanism of galactose oxidase: A theoretical study
Authors: Himo, F Eriksson, LA Maseras, F Siegbahn, PEM
Citation: F. Himo et al., Catalytic mechanism of galactose oxidase: A theoretical study, J AM CHEM S, 122(33), 2000, pp. 8031-8036
Hydrogen atom addition to hydrocarbon guests in radiolyzed zeolites
Authors: Werst, DW Han, P Choure, SC Vinokur, EI Xu, L Trifunac, AD Eriksson, LA
Citation: Dw. Werst et al., Hydrogen atom addition to hydrocarbon guests in radiolyzed zeolites, J PHYS CH B, 103(43), 1999, pp. 9219-9230
Mechanism of hydroxyl radical addition to imidazole and subsequent water elimination
Authors: Llano, J Eriksson, LA
Citation: J. Llano et La. Eriksson, Mechanism of hydroxyl radical addition to imidazole and subsequent water elimination, J PHYS CH B, 103(26), 1999, pp. 5598-5607
Reply to "Comment on effects of ionizing radiation on crystalline cytosinemonohydrate"
Authors: Wetmore, SD Boyd, RJ Himo, F Eriksson, LA
Citation: Sd. Wetmore et al., Reply to "Comment on effects of ionizing radiation on crystalline cytosinemonohydrate", J PHYS CH B, 103(15), 1999, pp. 3051-3052
Electronic structure of a transient histidine radical in liquid aqueous solution: EPR continuous-flow studies and density functional calculations
Authors: Lassmann, G Eriksson, LA Himo, F Lendzian, F Lubitz, W
Citation: G. Lassmann et al., Electronic structure of a transient histidine radical in liquid aqueous solution: EPR continuous-flow studies and density functional calculations, J PHYS CH A, 103(9), 1999, pp. 1283-1290
Conformational analysis of quinone anion radicals in photosystem II and photosynthetic bacteria
Authors: Himo, F Babcock, GT Eriksson, LA
Citation: F. Himo et al., Conformational analysis of quinone anion radicals in photosystem II and photosynthetic bacteria, J PHYS CH A, 103(19), 1999, pp. 3745-3749
Methylene imino radical H2CN center dot: matrix isolation ESR and density functional theory study
Authors: Kasai, PH Eriksson, LA
Citation: Ph. Kasai et La. Eriksson, Methylene imino radical H2CN center dot: matrix isolation ESR and density functional theory study, MOLEC PHYS, 96(6), 1999, pp. 993-1000
A combined quantum mechanics and molecular dynamics study of small Jahn-Teller distorted hydrocarbons: Another difficult test for density-functional theory
Authors: Wetmore, SD Boyd, RJ Eriksson, LA Laaksonen, A
Citation: Sd. Wetmore et al., A combined quantum mechanics and molecular dynamics study of small Jahn-Teller distorted hydrocarbons: Another difficult test for density-functional theory, J CHEM PHYS, 110(24), 1999, pp. 12059-12069
Tyrosyl radical in galactose oxidase not strongly perturbed by cysteine cross-link
Authors: Himo, F Babcock, GT Eriksson, LA
Citation: F. Himo et al., Tyrosyl radical in galactose oxidase not strongly perturbed by cysteine cross-link, CHEM P LETT, 313(1-2), 1999, pp. 374-378
Theoretical investigation of adenine radicals generated in irradiated DNA components
Authors: Wetmore, SD Boyd, RJ Eriksson, LA
Citation: Sd. Wetmore et al., Theoretical investigation of adenine radicals generated in irradiated DNA components, J PHYS CH B, 102(51), 1998, pp. 10602-10614
Cleavage of neutral alkenes and alkene radical cations; hybrid Hartree-Fock/density functional theory results
Authors: Eriksson, LA Jansson, CM Arnold, DR Boyd, RJ
Citation: La. Eriksson et al., Cleavage of neutral alkenes and alkene radical cations; hybrid Hartree-Fock/density functional theory results, CAN J CHEM, 76(12), 1998, pp. 1817-1826
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