Three Nimesulide Derivatives: Synthesis, Ab Initio Structure Determination from Powder X-ray Diffraction, and Quantitative Analysis of Molecular Surface Electrostatic Potential

2016 ◽  
Vol 16 (3) ◽  
pp. 1442-1452 ◽  
Author(s):  
Tanusri Dey ◽  
Paramita Chatterjee ◽  
Abir Bhattacharya ◽  
Sarbani Pal ◽  
Alok K. Mukherjee
Keyword(s):  
Quantitative Analysis ◽  
Ab Initio ◽  
Electrostatic Potential ◽  
Structure Determination ◽  
Molecular Surface ◽  
X Ray Diffraction ◽  
X Ray ◽  
Ab Initio Structure ◽  
Surface Electrostatic Potential

Ab initio structure determination of anhydrous sodium alendronate from laboratory powder X-ray diffraction data

2009 ◽  
Vol 98 (6) ◽  
pp. 2113-2121 ◽  
Author(s):  
Minakshi Asnani ◽  
K. Vyas ◽  
Apurba Bhattacharya ◽  
Surya Devarakonda ◽  
Santu Chakraborty ◽  
...  
Keyword(s):  
Ab Initio ◽  
Diffraction Data ◽  
Structure Determination ◽  
X Ray Diffraction ◽  
X Ray ◽  
Ab Initio Structure

scholarly journals Ab-initio structure determination of C18H19N4S from powder X-ray diffraction

2005 ◽  
Vol 61 (a1) ◽  
pp. c157-c157
Author(s):  
H.-S. Sheu ◽  
O. Ozgen ◽  
Y. H. Lin ◽  
E. Kendi ◽  
N. Gokhan
Keyword(s):  
Ab Initio ◽  
Structure Determination ◽  
X Ray Diffraction ◽  
X Ray ◽  
Ab Initio Structure

ChemInform Abstract: Ab initio Structure Determination via Powder X-Ray Diffraction

ChemInform ◽  
2010 ◽  
Vol 33 (15) ◽  
pp. no-no
Author(s):  
Digamber G. Porob ◽  
T. N. Guru Row
Keyword(s):  
Ab Initio ◽  
Structure Determination ◽  
X Ray Diffraction ◽  
X Ray ◽  
Ab Initio Structure

Ab Initio Structure Determination of Quasicrystals via Single Crystal X-Ray Diffraction

2003 ◽  
Vol 805 ◽  
Author(s):  
Hiroyuki Takakura ◽  
Akiji Yamamoto ◽  
Marc de Boissieu ◽  
Taku J Sato ◽  
An Pang Tsai
Keyword(s):  
Single Crystal ◽  
Ab Initio ◽  
Structure Determination ◽  
Dimensional Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Higher Dimensional ◽  
Icosahedral Quasicrystals ◽  
Ab Initio Structure

ABSTRACTA standard approach for structure solution of ordinary crystals begins with solving the phase problem. We show that a similar procedure can be taken even in the case of quasicrystals using single crystal X-ray diffraction by applying an ab initio structure determination method called the low density elimination method. The first picture of the occupation domains, which must be specified in a higher-dimensional structure determination of quasicrystals, is obtained from a phase-reconstructed density. We present six-dimensional densities determined by this method and give their interpretation for several different types of icosahedral quasicrystals.

Ab initio structure determination of a peptide β-turn from powder X-ray diffraction data

2001 ◽  
pp. 1460-1461 ◽  
Author(s):  
Emilio Tedesco ◽  
Kenneth D. M. Harris ◽  
Roy L. Johnston ◽  
Giles W. Turner ◽  
K. Muruga Poopathi Raja ◽  
...  
Keyword(s):  
Ab Initio ◽  
Diffraction Data ◽  
Structure Determination ◽  
X Ray Diffraction ◽  
X Ray ◽  
Ab Initio Structure

Ab Initio Structure Determination of a New Compound, β-SrGaBO4, from Powder X-Ray Diffraction Data

2002 ◽  
Vol 165 (1) ◽  
pp. 119-124 ◽  
Author(s):  
Z. Yang ◽  
J.K. Liang ◽  
X.L. Chen ◽  
J.R. Chen
Keyword(s):  
Ab Initio ◽  
Diffraction Data ◽  
Structure Determination ◽  
X Ray Diffraction ◽  
X Ray ◽  
Ab Initio Structure
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