An Experimental and Density Functional Study of the Interaction of CuII Complexes of Diethylenetriamine (Dien) with Pyridine, Nicotinic Acid, and Nicotinamide: The Crystal Structure of [Cu(dien)(nicotinamide)(NO3)2]

2006 ◽  
Vol 2006 (10) ◽  
pp. 2083-2095 ◽  
Author(s):  
Panagiotis A. Papanikolaou ◽  
Panagiotis C. Christidis ◽  
Aikaterini Th. Chaviara ◽  
Christos A. Bolos ◽  
Athanassios C. Tsipis
Keyword(s):  
Crystal Structure ◽  
Nicotinic Acid ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study

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.

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