Quadricyclane (QC, C7H8), also known as tetracyclo[3.2.0.0 2,7 .0 4,6 ]heptane, belongs to a family of liquid hydrocarbons (C7Hx) characterized by a highly strained ring structure and a high density (1.09 g/ml) or net heat of combustion (NHOC) of 43.02 MJ/kg . These properties make the QC family efficient propellants and position-controlling agents for rockets . Additionally, they often possess unusual electronic structures , endowing them with unique properties that chain alkane hydrocarbons lack . However, predicting the properties of strained cycloalkanes, such as quadricyclane (QC) and its norbornyl derivatives, such as norbornadiene (NBD, also known as bicyclo[2.2.1]hepta-2,5-diene), can be challenging because of their distinctive structures. The norbornyl skeleton provides a relatively rigid and closely defined framework for the investigation of strained hydrocarbons and their unusual properties .