A neural network potential energy surface assisted molecular dynamics study on the pyrolysis behavior of two spiro-hydrocarbons

Phys. Chem. Chem. Phys., 2024, Advance Article DOI: 10.1039/D3CP05425J, PaperHang Xiao, Bin Yang Neural network molecular dynamics research reveals that the molecular structure of spiro-polycyclic hydrocarbon fuels determines the initial pyrolysis reactions as well as the subsequent combustion performance and coking behavior. To cite this article before page numbers are assigned, use the DOI form of citation above. The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles - April 3, 2024 Category: Chemistry Authors: Hang Xiao Source Type: research