A selfconsistent calculation of the rigid neutral atom density according to the auxiliary neutral atom model

1972 ◽  
Vol 5 (17) ◽  
pp. 2333-2344 ◽  
Author(s):  
L Dagens
Keyword(s):  
Author(s):  
Naoji Yamamoto ◽  
Masataka Iwamoto ◽  
Taichi Morita ◽  
Hideki Nakashima

1989 ◽  
Vol 17 (5) ◽  
pp. 666-671 ◽  
Author(s):  
E. Hayess ◽  
B. Juttner ◽  
G. Lieder ◽  
W. Neumann ◽  
H. Pursch ◽  
...  

1982 ◽  
Vol 36 (2) ◽  
pp. 168-171 ◽  
Author(s):  
P. K. Schenck ◽  
J. C. Travis ◽  
G. C. Turk ◽  
T. C. O'Haver

The temporal and spatial evolution of the depleted neutral atom density following laser-enhanced ionization in laminar flow flames has been used to characterize the flow velocity of the flame gases. This technique utilizes a low power cw dye laser and a low sodium seed density (1011 to 1012 atoms/ml). The flow velocity can be measured to better than 2% in standard analytical burners.


2014 ◽  
Vol 70 (6) ◽  
pp. 580-583 ◽  
Author(s):  
Claudia M. Orben ◽  
Birger Dittrich

For the structure of fluconazole [systematic name: 2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol] monohydrate, C13H12F2N6O·H2O, a case study on different model refinements is reported, based on single-crystal X-ray diffraction data measured at 100 K with CuKα radiation to a resolution of sin θ/λ of 0.6 Å−1. The structure, anisotropic displacement parameters (ADPs) and figures of merit from the independent atom model are compared to `invariom' and `Hirshfeld atom' refinements. Changing from a spherical to an aspherical atom model lowers the figures of merit and improves both the accuracy and the precision of the geometrical parameters. Differences between results from the two aspherical-atom refinements are small. However, a refinement of ADPs for H atoms is only possible with the Hirshfeld atom density model. It gives meaningful results even at a resolution of 0.6 Å−1, but requires good low-order data.


Author(s):  
Ryo Kikuchi ◽  
Yuichi Hirano ◽  
Haruki Ejiri ◽  
Yuki Inada ◽  
Akiko Kumada ◽  
...  

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