scholarly journals Conformation and reactivity of DNA in the complex with protein. IV.Circular dichroism of poly-L-histidine model complexes with DNA polymers and specificity of the interaction

1976 ◽  
Vol 3 (3) ◽  
pp. 561-580 ◽  
Author(s):  
G. Burckhardt ◽  
Ch. Zimmer ◽  
G. Luck
Keyword(s):  
Model Complexes

scholarly journals Probing physical oxidation state via resonant X‐ray emission spectroscopy: Applications to iron model complexes and nitrogenase

2021 ◽  
Author(s):  
Serena DeBeer ◽  
Rebeca G. Castillo ◽  
Anselm W. Hahn ◽  
Benjamin E. Van Kuiken ◽  
Justin T. Henthorn
Keyword(s):  
Oxidation State ◽  
Emission Spectroscopy ◽  
Model Complexes ◽  
X Ray

Theoretical design of magnetic wires from acene and nanocorone derivatives

2016 ◽  
Vol 45 (42) ◽  
pp. 16700-16708 ◽  
Author(s):  
Joan Cano ◽  
Francesc Lloret ◽  
Miguel Julve
Keyword(s):  
Present Contribution ◽  
Model Complexes ◽  
Theoretical Design ◽  
Magnetic Wires

A theoretical design of molecular magnetic wires based on linear and cyclic oligoacene-bridged dicopper(ii) model complexes is highlighted in the present contribution.

scholarly journals Strong Electronic and Counterion Effects on Geminal Digold Formation and Reactivity as Revealed by Gold(I)-Aryl Model Complexes

2012 ◽  
Vol 124 (10) ◽  
pp. 2502-2506 ◽  
Author(s):  
Dieter Weber ◽  
T. David Jones ◽  
Laura L. Adduci ◽  
Michel R. Gagné
Keyword(s):  
Model Complexes

scholarly journals Systematic synthesis of functional unsymmetric FeZn model complexes for plant purple acid phosphatases

2010 ◽  
Vol 13 (3) ◽  
pp. 334-337 ◽  
Author(s):  
Martin Jarenmark ◽  
Håkan Carlsson ◽  
Vladimir M. Trukhan ◽  
Matti Haukka ◽  
Sophie E. Canton ◽  
...  
Keyword(s):  
Acid Phosphatases ◽  
Model Complexes ◽  
Purple Acid Phosphatases ◽  
Systematic Synthesis

scholarly journals Ligand Field Effects on the Ground and Excited States of the Catalytically Active FeO2+ Species

2018 ◽  
Author(s):  
Justin K. Kirkland ◽  
Shahriar N. Khan ◽  
Bryan Casale ◽  
Evangelos Miliordos ◽  
Konstantinos Vogiatzis
Keyword(s):  
Excited States ◽  
Function Theory ◽  
Weak Field ◽  
Ligand Field ◽  
Model Complexes ◽  
Coordination Environment ◽  
Reactivity Descriptors ◽  
Field Effects ◽  
Catalytically Active ◽  
High Level

<p>We have performed high-level wave function theory calculations on bare FeO2+ and a series of non-heme Fe(IV)-oxo model complexes in order to elucidate the electronic properties and the ligand field effects on those channels. Our results suggest that a coordination environment formed by a weak field gives access to both competitive channels, yielding more reactive Fe(IV)-oxo sites. On the contrary, a strong ligand environment stabilizes only the σ-channel. Our concluding remarks will aid on the derivation of new structure-reactivity descriptors that can contribute on the development of the next generation of functional catalysts.</p>

scholarly journals Ligand Field Effects on the Ground and Excited States of the Catalytically Active FeO2+ Species

2018 ◽  
Author(s):  
Justin K. Kirkland ◽  
Shahriar N. Khan ◽  
Bryan Casale ◽  
Evangelos Miliordos ◽  
Konstantinos Vogiatzis
Keyword(s):  
Excited States ◽  
Function Theory ◽  
Weak Field ◽  
Ligand Field ◽  
Model Complexes ◽  
Coordination Environment ◽  
Reactivity Descriptors ◽  
Field Effects ◽  
Catalytically Active ◽  
High Level

<p>We have performed high-level wave function theory calculations on bare FeO2+ and a series of non-heme Fe(IV)-oxo model complexes in order to elucidate the electronic properties and the ligand field effects on those channels. Our results suggest that a coordination environment formed by a weak field gives access to both competitive channels, yielding more reactive Fe(IV)-oxo sites. On the contrary, a strong ligand environment stabilizes only the σ-channel. Our concluding remarks will aid on the derivation of new structure-reactivity descriptors that can contribute on the development of the next generation of functional catalysts.</p>

scholarly journals The study of CuIand CuIIdopamine β hydroxylase (DBH) model complexes by X-ray absorption and diffraction

1993 ◽  
Vol 49 (s1) ◽  
pp. c91-c91
Author(s):  
N. Benali-Cherif ◽  
M. Pierrot ◽  
M. Reglier ◽  
I. Ascone ◽  
A. Michalowicz
Keyword(s):  
Model Complexes ◽  
X Ray ◽  
X Ray Absorption
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