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Nano Research ◽  
2022 ◽  
Author(s):  
Wenhao Zhang ◽  
Degong Ding ◽  
Jingjing Gao ◽  
Kunliang Bu ◽  
Zongxiu Wu ◽  
...  
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2022 ◽  
Vol 43 (3) ◽  
Author(s):  
Marcin Buchowiecki

AbstractThis study is aimed to determine collision integrals for atoms interacting according to the m-6-8 and Hulburt–Hirschfelder potentials and analyze the differences between potentials. The precision of four significant digits was reached at all tested temperatures, and for high-temperature applications, six digits were calculated. The proposed method was tested on the Lennard-Jones potential and found to excellently agree with the recent high-quality data. In addition, the Hulburt–Hirschfelder potential was used for determining the collision integrals of the interaction of nitrogen atoms in the ground electronic state and compared with other known values. The calculations were performed using Mathematica computation system which can deal with singularities (so-called orbiting).


2022 ◽  
Vol 105 (3) ◽  
Author(s):  
Zongxiu Wu ◽  
Kunliang Bu ◽  
Wenhao Zhang ◽  
Ying Fei ◽  
Yuan Zheng ◽  
...  

2022 ◽  
Author(s):  
Mahiro Okada ◽  
Yoshinobu Nishimura

In order to investigate the electronic states of emissive tautomers (T*) of aromatic-urea compounds formed via excited-state intermolecular proton transfer (ESPT) with acetate anion (Ac), a new aromatic-urea compound (3FU)...


2022 ◽  
Vol 40 (1) ◽  
pp. 013204
Author(s):  
Syed Mohammad Fakruddin Shahed ◽  
Atsushi Beniya ◽  
Hirohito Hirata ◽  
Yoshihide Watanabe

Author(s):  
Xiaolong Zhang ◽  
Jiajun Du ◽  
Fan Liao ◽  
Hao Su ◽  
Xuepeng Zhang ◽  
...  
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