Double-Exchange and Vibronic Coupling in Mixed-Valence Systems. Electronic Structure of [Fe4S4]3+ Clusters in High-Potential Iron Protein and Related Models. [Erratum to document cited in CA121:3500]

1994 ◽  
Vol 116 (17) ◽  
pp. 7957-7957 ◽  
Author(s):  
Emile L. Bominaar ◽  
Serguei A. Borshch ◽  
Jean-Jacques Girerd
Keyword(s):  
Electronic Structure ◽  
Mixed Valence ◽  
Double Exchange ◽  
Vibronic Coupling ◽  
High Potential ◽  
Iron Protein

The Electronic Structure of the Fe4S3+4Cluster in Proteins: The Importance of Double Exchange Parameter

1995 ◽  
Vol 50 (1) ◽  
pp. 75-80 ◽  
Author(s):  
Moshe Belinskii ◽  
Ivano Bertini ◽  
Oleg Galas ◽  
Claudio Luchinat
Keyword(s):  
Electronic Structure ◽  
Double Exchange ◽  
Exchange Parameter ◽  
High Potential ◽  
Iron Sulfur ◽  
Upper Limit ◽  
Sulfur Protein ◽  
Epr Parameters ◽  
Iron Sulfur Protein

The recently obtained Mössbauer and EPR parameters of the Fe4S43+ polymetallic center in the High Potential Iron-Sulfur Protein (HiPIP) II from E. halophila have been reproduced with models based on pure Heisenberg exchange. The role of double exchange versus ./-inequivalence is discussed. An evaluation of the upper limit of the double exchange parameter in the Fe4S43+ bimetallic center is also presented. The present calculations shed further light on the electronic structure of the Fe4S43+ center.

Heisenberg and double exchange in iron mixed valence [Fe6S6]+ supercluster

1997 ◽  
Vol 90 (3) ◽  
pp. 445-463 ◽  
Author(s):  
M. CZERWINSKI ◽  
J. DĄBROWSKI
Keyword(s):  
Mixed Valence ◽  
Double Exchange

Comment on “Pressure-induced structural and valence transition in AgO” by C. Hou, J. Botana, X. Zhang, X. Wang and M. Miao, Phys. Chem. Chem. Phys., 2016, 18, 15322

2016 ◽  
Vol 18 (46) ◽  
pp. 31973-31974 ◽  
Author(s):  
Mariana Derzsi ◽  
Wojciech Grochala
Keyword(s):  
Electronic Structure ◽  
Recent Article ◽  
Theoretical Study ◽  
Mixed Valence ◽  
Chem Phys ◽  
External Pressure ◽  
Valence Transition ◽  
Mixed Valence Compound ◽  
Phys Chem Chem Phys

The recent article by Hou et al. has focused on a theoretical study of mixed valence compound AgO in order to elucidate the nature of the electronic structure of this system as a function of external pressure.

High‐nuclearity mixed‐valence magnetic clusters: A general solution of the double exchange problem

1996 ◽  
Vol 105 (16) ◽  
pp. 6892-6909 ◽  
Author(s):  
J. J. Borrás‐Almenar ◽  
J. M. Clemente ◽  
E. Coronado ◽  
A. V. Palii ◽  
B. S. Tsukerblat ◽  
...  
Keyword(s):  
General Solution ◽  
Mixed Valence ◽  
Double Exchange ◽  
Magnetic Clusters
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