The Formation Mechanism and Structure of Organic Liquids in the DFT Challenges
Keyword(s):
In the paper the experimental and theoretical approaches to problem of organic liquids formation mechanism and its structure are reviewed. It was shown that all presented models have the advantages and disadvantages at interpretation of molecular interaction and arrangement in liquid phase. The DFT calculation in different variant of models including paired interaction hydrogen atom transfer, model of transformation and the general conclusion following from this consideration are presented.
Keyword(s):
2019 ◽
Keyword(s):
2019 ◽
2019 ◽
2020 ◽
2019 ◽
2019 ◽
2020 ◽