Electronic Structure of High-Valent Transition Metal Corrolazine Complexes. The Young and Innocent?

2002 ◽  
Vol 124 (27) ◽  
pp. 8117-8121 ◽  
Author(s):  
Espen Tangen ◽  
Abhik Ghosh
Keyword(s):  
Electronic Structure ◽  
Transition Metal ◽  
High Valent

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

2000 ◽  
Vol 122 (21) ◽  
pp. 5100-5104 ◽  
Author(s):  
Abhik Ghosh ◽  
Tebikie Wondimagegn ◽  
Andreas B. J. Parusel
Keyword(s):  
Electronic Structure ◽  
Transition Metal ◽  
Nickel Complexes ◽  
Metal Centers ◽  
High Valent

SYSTEMATIC STUDIES OF MAGNETISM AND ELECTRONIC STRUCTURE IN 3d-TRANSITION METAL PSEUDOBINARY (a1-xbx)77 B13Si10 AMORPHOUS ALLOYS

1988 ◽  
Vol 49 (C8) ◽  
pp. C8-1273-C8-1274
Author(s):  
M. Hasegawa ◽  
T. Goto ◽  
U. Mizutani
Keyword(s):  
Electronic Structure ◽  
Transition Metal ◽  
Amorphous Alloys

Electronic structure modulation of NiS2 by transition metal doping for accelerating the hydrogen evolution reaction

2019 ◽  
Vol 7 (9) ◽  
pp. 4971-4976 ◽  
Author(s):  
Tongtong Wang ◽  
Xiaosong Guo ◽  
Jingyan Zhang ◽  
Wen Xiao ◽  
Pinxian Xi ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Catalytic Activity ◽  
Transition Metal ◽  
Hydrogen Evolution Reaction ◽  
Systematic Study ◽  
First Principles ◽  
Transition Metal Doping ◽  
First Principles Calculations ◽  
Structure Modulation ◽  
Metal Doped

We give a systematic study of the HER catalytic activity of transition metal doped NiS2 by first principles calculations and experiments.

Electronic structure of the uranium-3d transition metal laves phases

Physica B+C ◽  
1986 ◽  
Vol 144 (1) ◽  
pp. 32-40 ◽  
Author(s):  
O. Eriksson ◽  
B. Johansson ◽  
H.L. Skriver ◽  
M.S.S. Brooks
Keyword(s):  
Electronic Structure ◽  
Transition Metal ◽  
Laves Phases

Theory Of 3d Transition Metal Defects In 3C SiC

1996 ◽  
Vol 442 ◽  
Author(s):  
Harald Overhof
Keyword(s):  
Electronic Structure ◽  
Transition Metal ◽  
Electronic Properties ◽  
Crystal Field ◽  
High Spin ◽  
Crystal Field Splitting ◽  
Large Crystal ◽  
Field Splitting ◽  
Vacancy Model ◽  
The Difference

AbstractThe electronic properties of 3d transition metal (TM) defects located on one of the four different tetrahedral positions in 3C SiC are shown to be quite site-dependent. We explain the differences for the 3d TMs on the two substitutional sites within the vacancy model: the difference of the electronic structure between the carbon vacancy VC and the silicon vacancy VSi is responsible for the differences of the 3d TMs. The electronic properties of 3d TMs on the two tetrahedral interstitial sites differ even more: the TMs surrounded tetrahedrally by four Si atoms experience a large crystal field splitting while the tetrahedral C environment does not give rise to a significant crystal field splitting at all. It is only in the latter case that high-spin configurations are predicted.

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