Elucidating the mechanism for the reduction of nitrite by copper nitrite reductase-A contribution from quantum chemical studies von De Marothy, S. A., Blomberg, M. R. A., Siegbahn, P. E. M.

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Transition-Metal Systems in Biochemistry Studied by High-Accuracy Quantum Chemical Methods von Siegbahn, Per E. M., Blomberg, Margareta R. A.

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Potential energy surfaces of MH2 (M = Co, Fe, and Cu) von Siegbahn, P. E. M., Blomberg, M. R. A., Bauschlicher, C. W., Jr

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The dissociation of H2 on the Ni(100) surface von Siegbahn, P. E. M., Blomberg, M. R. A., Bauschlicher, C. W., Jr

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Density functional theory of biologically relevant metal centers von Siegbahn, P E, Blomberg, M R

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Singlet and triplet energy surfaces of NiH2 von Blomberg, M. R. A., Siegbahn, P. E. M.

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Relative Acidities of Ortho-Substituted Phenols, as Models for Modified Tyrosines in Proteins von Himo, Fahmi, Noodleman, Louis, Blomberg, Margareta R. A, Siegbahn, Per E. M

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O–O bond splitting mechanism in cytochrome oxidase von Blomberg, Margareta R.A., Siegbahn, Per E.M., Babcock, Gerald T., Wikström, Mårten

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Density Functional Study of the O 2 Binding to [Cu I (TPA R )] + (TPA = Tris(2-pyridylmethyl)amine) in THF and EtCN von Johansson, Adam Johannes, Blomberg, Margareta R. A., Siegbahn, Per E. M.

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Quantum Chemical Modeling of the Oxidation of Dihydroanthracene by the Biomimetic Nonheme Iron Catalyst [(TMC)FeIV(O)]2 von Johansson, Adam Johannes, Blomberg, Margareta R. A, Siegbahn, Per E. M

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Density Functional Study of the O2 Binding to [CuI(TPAR)]+ (TPA = Tris(2-pyridylmethyl)amine) in THF and EtCN von Johansson, Adam Johannes, Blomberg, Margareta R. A, Siegbahn, Per E. M

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Modeling water exchange on monomeric and dimeric Mn centers von Lundberg, Marcus, Blomberg, Margareta R. A., Siegbahn, Per E. M.

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Mechanisms for the reactions between methane and the neutral transition metal atoms from yttrium to palladium von Blomberg, Margareta R. A, Siegbahn, Per E. M, Svensson, Mats

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The mechanism of the Ni-Fe hydrogenases: a quantum chemical perspective von Siegbahn, P E, Blomberg, M R, Wirstam née Pavlov, M, Crabtree, R H

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PCI-X, a parametrized correlation method containing a single adjustable parameter X von Siegbahn, Per E.M., Blomberg, Margareta R.A., Svensson, Mats

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Correlation between Saccharomyces cerevisiae DNA in intestinal mucosal samples and anti-Saccharomyces cerevisiae antibodies in serum of patients with IBD von Mallant-Hent, R-C, Mooij, M, von Blomberg, B-Me, Linskens, R-K, van Bodegraven, A-A, Savelkoul, P-Hm

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Substituent effects on OH bond strength and hyperfine properties of phenol, as model for modified tyrosyl radicals in proteins von Himo, Fahmi, Eriksson, L. A., Blomberg, M. R. A., Siegbahn, P. E. M.

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The H3 potential surface revisited von BLOMBERG, M. R. A, LIU, B

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O-O Bond Cleavage in Dinuclear Peroxo Complexes of Iron Porphyrins: a Quantum Chemical Study von Blomberg, M. R. A., Johansson, A. J., Siegbahn, P. E. M.

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The effects of covalent ligands on the oxidative addition reaction between second-row transition-metal atoms and methane von Siegbahn, Per E. M, Blomberg, Margareta R. A, Svensson, Mats

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