A combined DFT and restricted open-shell configuration interaction method including spin-orbit coupling: Application to transition metal L-edge X-ray absorption spectroscopy

2013 ◽  
Vol 138 (20) ◽  
pp. 204101 ◽  
Author(s):  
Michael Roemelt ◽  
Dimitrios Maganas ◽  
Serena DeBeer ◽  
Frank Neese
Keyword(s):  
Transition Metal ◽  
Absorption Spectroscopy ◽  
Configuration Interaction ◽  
Open Shell ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Interaction Method ◽  
Configuration Interaction Method ◽  
X Ray ◽  
X Ray Absorption

scholarly journals Spin-orbit coupling in iridium-based 5dcompounds probed by x-ray absorption spectroscopy

2012 ◽  
Vol 86 (19) ◽  
Author(s):  
J. P. Clancy ◽  
N. Chen ◽  
C. Y. Kim ◽  
W. F. Chen ◽  
K. W. Plumb ◽  
...  
Keyword(s):  
Absorption Spectroscopy ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
X Ray ◽  
X Ray Absorption

Identification of Transition Metal Sites in Fused SiO2 by X-Ray Absorption Spectroscopy

1985 ◽  
Vol 61 ◽  
Author(s):  
Farrel W. Lytle ◽  
Robert B. Greegor
Keyword(s):  
Transition Metal ◽  
Transition Metals ◽  
Absorption Spectroscopy ◽  
Optical Data ◽  
Site Symmetry ◽  
X Ray ◽  
Hydrolysis Method ◽  
Fused Quartz ◽  
X Ray Absorption ◽  
Good Agreement

ABSTRACTX-ray absorption spectroscopy is used to determine valence and site symmetry for all the 3d transition metals in fused quartz prepared by the flame hydrolysis method. The results are compared with optical data on the same samples with generally good agreement.

scholarly journals Synthesis and X-ray absorption spectroscopy of potassium transition metal fluoride nanocrystals

CrystEngComm ◽  
2019 ◽  
Vol 21 (1) ◽  
pp. 135-144 ◽  
Author(s):  
Michael R. Plews ◽  
Tanghong Yi ◽  
John Lee ◽  
Emory Chan ◽  
John W. Freeland ◽  
...  
Keyword(s):  
Transition Metal ◽  
Absorption Spectroscopy ◽  
Metal Fluoride ◽  
X Ray ◽  
Colloidal Chemistry ◽  
X Ray Absorption

Nanocrystals of KMF3 (M = Mn–Ni) and K3MF6 (M = V, Fe) were synthesized via non-aqueous routes based on colloidal chemistry.

X-ray absorption spectroscopy study of the electronic structure and local coordination of 1st row transition metal-promoted Chevrel-phase sulfides

2019 ◽  
Vol 72 (8) ◽  
pp. 1322-1335 ◽  
Author(s):  
Joseph T. Perryman ◽  
Forrest P. Hyler ◽  
Jessica C. Ortiz-Rodríguez ◽  
Apurva Mehta ◽  
Ambarish R. Kulkarni ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Transition Metal ◽  
Absorption Spectroscopy ◽  
Spectroscopy Study ◽  
X Ray ◽  
Local Coordination ◽  
Chevrel Phase ◽  
X Ray Absorption
Sign in / Sign up

Export Citation Format

Share Document