Effective Separation of Condensed Arenes from High-Temperature Coal Tar and Insight into Related Intermolecular Interactions

2021 ◽  
Author(s):  
Jia-Hao Li ◽  
Xian-Yong Wei ◽  
Hai-Feng Zhao ◽  
Wei-Wei Yan ◽  
Dao-Guang Teng ◽  
...  
Keyword(s):  
High Temperature ◽  
Intermolecular Interactions ◽  
Coal Tar ◽  
Effective Separation ◽  
Insight Into

Insight into the Compositions of the Soluble/Insolube Portions from the Acid/Base Extraction of Five Fractions Distilled from a High Temperature Coal Tar

2019 ◽  
Vol 33 (10) ◽  
pp. 10099-10107
Author(s):  
Zhi-Hao Ma ◽  
Xian-Yong Wei ◽  
Guang-Hui Liu ◽  
Zhong-Qiu Liu ◽  
Fang-Jing Liu ◽  
...  
Keyword(s):  
High Temperature ◽  
Coal Tar ◽  
Acid Base ◽  
Insight Into

A Theoretical Insight into the Curing Mechanism of Phthalonitrile Resins Promoted by Aromatic Amines

2021 ◽  
Author(s):  
Zuowei Chen ◽  
Liquan Wang ◽  
Jiaping Lin ◽  
Lei Du
Keyword(s):  
High Temperature ◽  
Aromatic Amines ◽  
Academic Research ◽  
Engineering Applications ◽  
Wide Range ◽  
Curing Mechanism ◽  
Theoretical Insight ◽  
Insight Into

High-temperature phthalonitrile resins have a wide range of applications, and understanding their curing mechanism is of great importance for academic research and engineering applications. However, the actual curing mechanism is...

scholarly journals Energy, orbital and structural stacking landscape of a purine homodimer system

2020 ◽  
Vol 139 (10) ◽  
Author(s):  
Tomasz Sierański
Keyword(s):  
Potential Energy ◽  
Intermolecular Interactions ◽  
Potential Energy Surfaces ◽  
Natural Bond Orbital ◽  
Natural Bond Orbital Analysis ◽  
Energy Sources ◽  
Energy Decomposition ◽  
Energy Surfaces ◽  
Orbital Analysis ◽  
Insight Into

Abstract The multidimensional study, combining the extensive calculations of potential energy surfaces for the parallel-displaced configurations and methods such as energy decomposition and natural bond orbital analysis, has been carried out. The resulted data give an energy, orbital and structural landscapes of this biologically essential system. The balance of the two energy sources, electrostatic and dispersion, is clearly visible. The obtained results, taken as a whole, provide an insight into the hierarchy of intermolecular interactions in the purine system, together with their sources.

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