Theoretical modeling of the mechanism of aniline oxidation by singlet O2

2018 ◽  
Vol 67 (9) ◽  
pp. 1567-1572
Author(s):  
R. S. Shamsiev ◽  
O. L. Kaliya ◽  
V. R. Flid
Nanoscale ◽  
2020 ◽  
Vol 12 (45) ◽  
pp. 23028-23035
Author(s):  
Artem R. Khabibullin ◽  
Alexander L. Efros ◽  
Steven C. Erwin

Theoretical modeling of wavefunction overlap in nanocrystal solids elucidates the important role played by ligands in electron transport.


2005 ◽  
Vol 432 (1) ◽  
pp. 181-187 ◽  
Author(s):  
E. Meyer-Hofmeister ◽  
B. F. Liu ◽  
F. Meyer

2015 ◽  
pp. 123-140 ◽  
Author(s):  
O. Koshovets ◽  
T. Varkhotov

The paper considers the analogy of theoretical modeling and thought experiment in economics. The authors provide historical and epistemological analysis of thought experiments and their relations to the material experiments in natural science. They conclude that thought experiments as instruments are used both in physics and in economics, but in radically different ways. In the natural science, a thought experiment is tightly connected to the material experimentation, while in economics it is used in isolation. Material experiments serve as a means to demonstrate the reality, while thought experiments cannot be a full-fledged instrument of studying the reality. Rather, they constitute the instrument of structuring the field of inquiry.


Author(s):  
B. B. Shkursky

Theoretical modeling of regular olivine grains misorientations in mimetic paramorphoses after ringwoodite and wadsleyite, the formation of which during the ascension of matter from the Mantle Transition Zone is expected, has been carried out. The coordinates of the misorientation axes and the misorientation angles, characterizing 10 operations of alignment in the pair intergrowths of olivine grains, eight of which are twins, are calculated. Possible conditions for the formation of mimetic paramorphoses predicted here, and the chances of their persistence are discussed. The calculated orientations are compared with the known twinning laws of olivine.


2014 ◽  
Vol 10 ◽  
pp. 95-101
Author(s):  
A.S. Topolnikov

The paper presents the results of theoretical modeling of joined movement of pump rods and plunger pump and multiphase flow in a well for determination of dynamic loads on the polished rod of pumping unit. The specificity of the proposed model is the possibility of taking into account for complications in rod pump operating, such as leakage in valve steam, presence of gas and emulsion, incorrect fitting of plunger inside the cylinder pump. The satisfactory agreement of results of the model simulation with filed measurements are obtained.


2021 ◽  
Vol 437 ◽  
pp. 213861
Author(s):  
Giorgio Mercuri ◽  
Giuliano Giambastiani ◽  
Corrado Di Nicola ◽  
Claudio Pettinari ◽  
Simona Galli ◽  
...  

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