Neural network potential energy surface assisted molecular dynamics study on pyrolysis behavior of two spiro-hydrocarbons
Physical Chemistry Chemical Physics（2024）
摘要
The Spiro-hydrocarbons are potentially a type of novel alternative jet fuel for their high density and net heat of combustion. In this work, the pyrolysis study of two spiro-hydrocarbons (spiro[cyclopropane-1,6’-tricyclo[3.2.1.02,4]octane]...
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