Sulfur K-edge XAS and DFT calculations on P450 model complexes: effects of hydrogen bonding on electronic structure and redox potentials (Q33891918)

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5 January 2020

title

Sulfur K-edge XAS and DFT calculations on P450 model complexes: effects of hydrogen bonding on electronic structure and redox potentials (English)

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5 January 2020

1

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5 January 2020

Taka-aki Okamura

2

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author name string

Norikazu Ueyama

3

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5 January 2020

Britt Hedman

4

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5 January 2020

Keith O Hodgson

5

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5 January 2020

Edward I Solomon

6

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language of work or name

English

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publication date

1 August 2005

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Journal of the American Chemical Society

5 January 2020

published in

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volume

127

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issue

34

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page(s)

12046-12053

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5 January 2020

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Hydrogen bonding in diols and binary diol-water systems investigated using DFT methods. II. Calculated infrared OH-stretch frequencies, force constants, and NMR chemical shifts correlate with hydrogen bond geometry and electron density topology. A r

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Relationship between the Dipole Strength of Ligand Pre-Edge Transitions and Metal-Ligand Covalency

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Sulfur K-edge X-ray absorption spectroscopy of 2Fe-2S ferredoxin: covalency of the oxidized and reduced 2Fe forms and comparison to model complexes.

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Structure and Properties of [Fe(4)S(4){2,6-bis(acylamino)benzenethiolato-S}(4)](2)(-) and [Fe(2)S(2){2,6-bis(acylamino)benzenethiolato-S}(4)](2)(-): Protection of the Fe-S Bond by Double NH.S Hydrogen Bonds

29 October 2018

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12 December 2020

Novel Rubredoxin Model Tetrathiolato Iron(II) and Cobalt(II) Complexes Containing Intramolecular Single and Double NH.S Hydrogen Bonds

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Electron transfer by copper centers

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Direct measurement of the hydrogen-bonding effect on the intrinsic redox potentials of [4Fe-4S] cubane complexes

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Identifiers

DOI

10.1021/JA0519031

1 reference

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5 January 2020

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5 January 2020

PubMed publication ID

16117545

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