Ca- and Sr-tetrafluoroisophthalates: mechanochemical synthesis, characterization, and ab initio structure determination

2017 ◽  
Vol 46 (18) ◽  
pp. 6003-6012 ◽  
Author(s):  
Abdal-Azim Al-Terkawi ◽  
Gudrun Scholz ◽  
Ana Guilherme Buzanich ◽  
Stefan Reinsch ◽  
Franziska Emmerling ◽  
...  
Keyword(s):  
Ab Initio ◽  
Coordination Polymers ◽  
Mechanochemical Synthesis ◽  
Structure Determination ◽  
Metal Hydroxides ◽  
Synthesis Route ◽  
Ab Initio Structure

New fluorinated Ca- and Sr-based coordination polymers were successfully synthesizedviaa mechanochemical synthesis route by milling of metal hydroxides with tetrafluoroisophthalic acid.

Ab initio structure determination of cytochrome c6 by combined reciprocal space-real space approach

2003 ◽  
Vol 218 (1) ◽  
Author(s):  
K. Chowdhury ◽  
S. Ghosh ◽  
M. Mukherjee
Keyword(s):  
Cytochrome C ◽  
Ab Initio ◽  
Structure Determination ◽  
Direct Method ◽  
Real Space ◽  
Reciprocal Space ◽  
Cytochrome C6 ◽  
Ab Initio Structure ◽  
Space Approach

AbstractThe direct method program SAYTAN has been applied successfully to redetermine the structure of cytochrome c

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
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