First molecular and electronic structure determination of the dicationic salt of 1,11-(methanoselenomethano)-5H,7H-dibenzo[b,g] [1.5]diselenocin by X-ray crystallographic analysis and ab initio calculation

1997 ◽  
pp. 1767-1768 ◽  
Author(s):  
Tsukasa Nakahodo ◽  
Ohgi Takahashi ◽  
Ernst Horn ◽  
Naomichi Furukawa
Keyword(s):  
Electronic Structure ◽  
Ab Initio ◽  
Structure Determination ◽  
Ab Initio Calculation ◽  
Crystallographic Analysis ◽  
X Ray ◽  
Molecular And Electronic Structure

The ab initio structure determination of [(CH3)4N]2Ge4MnS10 from X-ray powder diffraction data

1995 ◽  
Vol 219 (1-2) ◽  
pp. 111-115 ◽  
Author(s):  
O. Achak ◽  
J.Y. Pivan ◽  
M. Maunaye ◽  
M. Louër ◽  
D. Louër
Keyword(s):  
Ab Initio ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Structure Determination ◽  
Powder Diffraction Data ◽  
X Ray ◽  
Ab Initio Structure

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

Ab initio structure determination of In2H2(P2O7)(P4O12) from X-ray powder diffraction data

2003 ◽  
Vol 218 (1) ◽  
Author(s):  
L. S. Ivashkevich ◽  
A. S. Lyakhov ◽  
A. F. Selevich ◽  
A. I. Lesnikovich
Keyword(s):  
Crystal Structure ◽  
Ab Initio ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Structure Determination ◽  
Powder Diffraction Data ◽  
X Ray ◽  
Ab Initio Structure

AbstractThe crystal structure of In

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

Ab-initio structure determination of LiSbWO6 by X-ray powder diffraction

1988 ◽  
Vol 23 (3) ◽  
pp. 447-452 ◽  
Author(s):  
A. Le Bail ◽  
H. Duroy ◽  
J.L. Fourquet
Keyword(s):  
Ab Initio ◽  
Powder Diffraction ◽  
Structure Determination ◽  
X Ray ◽  
Ab Initio Structure

Structure Determination of Triplet Diphenylcarbenes by in Situ X-ray Crystallographic Analysis

2007 ◽  
Vol 129 (8) ◽  
pp. 2383-2391 ◽  
Author(s):  
Masaki Kawano ◽  
Katsuyuki Hirai ◽  
Hideo Tomioka ◽  
Yuji Ohashi
Keyword(s):  
Structure Determination ◽  
Crystallographic Analysis ◽  
X Ray
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