The preferred U-conformation of m-quinquephenyl. An X-ray crystal structure determination and molecular mechanics study

1993 ◽  
pp. 1795 ◽  
Author(s):  
Peter W. Rabideau ◽  
Andrzej Sygula ◽  
Raj K. Dhar ◽  
Frank R. Fronczek
Keyword(s):  
Crystal Structure ◽  
Molecular Mechanics ◽  
Structure Determination ◽  
Crystal Structure Determination ◽  
X Ray

New similarity index for crystal structure determination from X-ray powder diagrams

2005 ◽  
Vol 38 (6) ◽  
pp. 861-866 ◽  
Author(s):  
Detlef Walter Maria Hofmann ◽  
Ludmila Kuleshova
Keyword(s):  
Crystal Structure ◽  
Structure Determination ◽  
Structure Prediction ◽  
Similarity Index ◽  
Crystal Structure Determination ◽  
Crystal Structure Prediction ◽  
X Ray ◽  
Organic Pigments ◽  
Structure Solution ◽  
Similarity Indices

A new similarity index for automated comparison of powder diagrams is proposed. In contrast to traditionally used similarity indices, the proposed method is valid in cases of large deviations in the cell constants. The refinement according to this index closes the gap between crystal structure prediction and automated crystal structure determination. The opportunities of the new procedure have been demonstrated by crystal structure solution of un-indexed powder diagrams of some organic pigments (PY111, PR181 and Me-PR170).

Crystal structure determination of solar cell materials: Cu2ZnSnS4 thin films using X-ray anomalous dispersion

2012 ◽  
Vol 524 ◽  
pp. 22-25 ◽  
Author(s):  
Hiroshi Nozaki ◽  
Tatsuo Fukano ◽  
Shingo Ohta ◽  
Yoshiki Seno ◽  
Hironori Katagiri ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Thin Films ◽  
Solar Cell ◽  
Structure Determination ◽  
Anomalous Dispersion ◽  
Crystal Structure Determination ◽  
X Ray

scholarly journals 3P-094 High resolution and precise X-ray crystal structure determination of Cyctochrome c Oxidase(The 46th Annual Meeting of the Biophysical Society of Japan)

2008 ◽  
Vol 48 (supplement) ◽  
pp. S142
Author(s):  
Michihiro Suga ◽  
Kyoko Ito-Shinzawa ◽  
Hiroshi Aoyama ◽  
Kazumasa Muramoto ◽  
Eiki Yamashita ◽  
...  
Keyword(s):  
Crystal Structure ◽  
High Resolution ◽  
Annual Meeting ◽  
Structure Determination ◽  
Crystal Structure Determination ◽  
X Ray ◽  
Biophysical Society

ChemInform Abstract: NMR, MS and X-Ray Crystal Structure Determination of the Bixin Family of Apocarotenoids.

ChemInform ◽  
2010 ◽  
Vol 28 (5) ◽  
pp. no-no
Author(s):  
D. R. KELLY ◽  
A. A. EDWARDS ◽  
J. A. PARKINSON ◽  
G. OLOVSSON ◽  
J. TROTTER ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Structure Determination ◽  
Crystal Structure Determination ◽  
X Ray
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