scholarly journals An Improved Receptor-Based Pharmacophore Generation Algorithm Guided by Atomic Chemical Characteristics and Hybridization Types

2018 ◽  
Vol 9 ◽  
Author(s):  
Gaoqi He ◽  
Bojie Gong ◽  
Jianqiang Li ◽  
Yiping Song ◽  
Shiliang Li ◽  
...  
2014 ◽  
Vol 941-944 ◽  
pp. 1777-1781
Author(s):  
Yuan Lou Gao ◽  
Zhe Li ◽  
Xin Wang

As traditional screw extrusion die tolerance analysis has characteristics like manual calculation, experience dependence so far, this paper aims at applying CAT (Computer Aided Tolerancing) into extrusion field with the assistance of tolerance modeling and self-generation algorithm of retrieval dimension chain to analyze tolerance and reassign tolerance based on the technology used for aircraft assembly referring to chemical characteristics of the manufacturing process. Practice on production line testified the rationality of improved tolerance design.


Author(s):  
C. Goessens ◽  
D. Schryvers ◽  
J. Van Landuyt ◽  
A. Verbeeck ◽  
R. De Keyzer

Silver halide grains (AgX, X=Cl,Br,I) are commonly recognized as important entities in photographic applications. Depending on the preparation specifications one can grow cubic, octahedral, tabular a.o. morphologies, each with its own physical and chemical characteristics. In the present study crystallographic defects introduced by the mixing of 5-20% iodide in a growing AgBr tabular grain are investigated. X-ray diffractometry reveals the existence of a homogeneous Ag(Br1-xIx) region, expected to be formed around the AgBr kernel. In fig. 1 a two-beam BF image, taken at T≈100 K to diminish radiation damage, of a triangular tabular grain is presented, clearly showing defect contrast fringes along four of the six directions; the remaining two sides show similar contrast under relevant diffraction conditions. The width of the central defect free region corresponds with the pure AgBr kernel grown before the mixing with I. The thickness of a given grain lies between 0.15 and 0.3 μm: as indicated in fig. 2 triangular (resp. hexagonal) grains exhibit an uneven (resp. even) number of twin interfaces (i.e., between + and - twin variants) parallel with the (111) surfaces. The thickness of the grains and the existence of the twin variants was confirmed from CTEM images of perpendicular cuts.


2020 ◽  
Vol 54 (4) ◽  
pp. 267-276
Author(s):  
Koshi Yamamoto ◽  
Yuta Suzuki ◽  
Gochoobazar Oyunjargal ◽  
Hiroyuki Fukuda ◽  
Munkhtsetseg Oidov ◽  
...  

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