Copper(II)–π interaction in cis-[Cu(orotato)(NH3)2] and the crystal structure of [Cu(orotato)(H2O)4]·H2O: X-ray, vibrational spectroscopy and density functional study

Polyhedron ◽  
2007 ◽  
Vol 26 (15) ◽  
pp. 4303-4313 ◽  
Author(s):  
Danuta Michalska ◽  
Katarzyna Hernik ◽  
Rafał Wysokiński ◽  
Barbara Morzyk-Ociepa ◽  
Adam Pietraszko
Keyword(s):  
Crystal Structure ◽  
Vibrational Spectroscopy ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
X Ray ◽  
In Cis

What does the Sr-substituted 2.1 Å resolution crystal structure of photosystem II reveal about the water oxidation mechanism?

2014 ◽  
Vol 50 (24) ◽  
pp. 3187-3190 ◽  
Author(s):  
Richard Terrett ◽  
Simon Petrie ◽  
Ron J. Pace ◽  
Robert Stranger
Keyword(s):  
Crystal Structure ◽  
Photosystem Ii ◽  
Water Oxidation ◽  
Density Functional ◽  
Oxidation Mechanism ◽  
Functional Study ◽  
Density Functional Study ◽  
X Ray

The structure of the water oxidising complex in the Sr-substituted X-ray crystal structure of photosystem II and its differences relative to the Ca-containing system, have been rationalized by a density functional study.

scholarly journals High Covalence in CuSO4 and the Radicalization of Sulfate: An X-Ray Absorption and Density Functional Study.

ChemInform ◽  
2005 ◽  
Vol 36 (9) ◽  
Author(s):  
Robert K. Szilagyi ◽  
Patrick Frank ◽  
Serena DeBeer George ◽  
Britt Hedman ◽  
Keith O. Hodgson
Keyword(s):  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
X Ray ◽  
X Ray Absorption

scholarly journals Kinetics of the sulfur oxidation on palladium: A combined in situ x-ray photoelectron spectroscopy and density-functional study

2012 ◽  
Vol 136 (9) ◽  
pp. 094702 ◽  
Author(s):  
Karin Gotterbarm ◽  
Nicola Luckas ◽  
Oliver Höfert ◽  
Michael P. A. Lorenz ◽  
Regine Streber ◽  
...  
Keyword(s):  
Photoelectron Spectroscopy ◽  
Density Functional ◽  
Sulfur Oxidation ◽  
Functional Study ◽  
Density Functional Study ◽  
X Ray ◽  
Kinetics Of

X-ray emission spectroscopy and density functional study of CO/Fe(100)

2012 ◽  
Vol 136 (3) ◽  
pp. 034702 ◽  
Author(s):  
J. Gladh ◽  
H. Öberg ◽  
Jibiao Li ◽  
M. P. Ljungberg ◽  
A. Matsuda ◽  
...  
Keyword(s):  
Emission Spectroscopy ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
X Ray
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