(Q35053350)

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High-level ab initio calculations on the energetics of low-lying spin states of biologically relevant transition metal complexes: a first progress report.

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17 December 2019

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High-level ab initio calculations on the energetics of low-lying spin states of biologically relevant transition metal complexes: a first progress report (English)

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12547436%20AND%20SRC:MED&resulttype=core&format=json

17 December 2019

transition metal

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17 December 2019

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Peter R Taylor

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17 December 2019

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1 February 2003

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17 December 2019

Current Opinion in Chemical Biology

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17 December 2019

7

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17 December 2019

1

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17 December 2019

113-124

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17 December 2019

High-valent transition metal centers and noninnocent ligands in metalloporphyrins and related molecules: a broad overview based on quantum chemical calculations

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Transition-metal systems in biochemistry studied by high-accuracy quantum chemical methods

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Ab initio multiconfiguration reference perturbation theory calculations on the energetics of low-energy spin states of iron(III) porphyrins

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Molecular structures and electron distributions of higher-valent iron and manganese porphyrins: Density functional theory calculations and some preliminary open-shell coupled-cluster results

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High-valent intermediates of heme proteins and model compounds

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The structure and spin coupling of catalase compound I: a study of noncovalent effects

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High-valent transition metal centers versus noninnocent ligands in metallocorroles: insights from electrochemistry and implications for high-valent heme protein intermediates

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Electronic Structure of Gallium, Copper, and Nickel Complexes of Corrole. High-Valent Transition Metal Centers versus Noninnocent Ligands

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NMR and EPR investigations of iron corrolates: iron(III) corrolate pi cation radicals or iron(IV) corrolates?

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Electrochemical and Electronic Absorption Spectroscopic Studies of Substituent Effects in Iron(IV) and Manganese(IV) Corroles. Do the Compounds Feature High-Valent Metal Centers or Noninnocent Corrole Ligands? Implications for Peroxidase Compound I a

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Is the corrolate macrocycle innocent or noninnocent? Magnetic susceptibility, Mössbauer, 1H NMR, and DFT investigations of chloro- and phenyliron corrolates

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High-valent transition metal chemistry. Moessbauer and EPR studies of high-spin (S = 2) iron(IV) and intermediate-spin (S = 3/2) iron(III) complexes with a macrocyclic tetraamido-N ligand

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Soluble methane monooxygenase: activation of dioxygen and methane

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Dynamics of alkane hydroxylation at the non-heme diiron center in methane monooxygenase

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An Fe2IVO2 Diamond Core Structure for the Key Intermediate Q of Methane Monooxygenase

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Peroxodiferric intermediate of stearoyl-acyl carrier protein delta 9 desaturase: oxidase reactivity during single turnover and implications for the mechanism of desaturation

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Bis(mu-oxo)dimetal "diamond" cores in copper and iron complexes relevant to biocatalysis

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A synthetic model for the putative Fe(IV)(2)O(2) diamond core of methane monooxygenase intermediate Q.

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Molecular structure of an Fe(IV) species:.

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Valence tautomerism and macrocycle ruffling in nickel(III) porphyrins

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Oxidative chemistry of nickel porphyrins

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What is the difference between the manganese porphyrin and corrole analogues of cytochrome P450's compound I?

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Identifiers

10.1016/S1367-5931(02)00023-6

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12547436%20AND%20SRC:MED&resulttype=core&format=json

17 December 2019

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12547436%20AND%20SRC:MED&resulttype=core&format=json

17 December 2019

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