Abstract Iso-Octane (2, 2, 4-trimethylpentane) is a primary reference fuel and an important
component of gasoline fuels. Moreover, it is a key component used in surrogates to study the …

A large data set of rate coefficients for H migration in peroxy radicals is presented and
supplemented with literature data to derive a structure–activity relationship (SAR) for the title …

The primary objective of this work is to develop an improved fundamentally-based
mechanism that describes the molecular weight growth kinetics observed during propene …

A new metal-free oxidative decarbonylative [2+ 2+ 2] carbocyclization of N-(2-ethynylaryl)
acrylamides with tertiary and secondary alkyl aldehydes is described. This reaction enables …

Ab initio (AI) kinetics consists in the determination of rate coefficients using theoretical
methodologies that rely on first-principles calculations. In one of its most successful …

A new visible light‐initiated 1, 5‐hydride radical shift strategy has been developed to enable
the one‐step functionalization of both a C (sp3) Br bond and a C (sp3) H bond adjacent …

Understanding the falloff in rate constants of gas-phase unimolecular reaction rate constants
as the pressure is lowered is a fundamental problem in chemical kinetics, with practical …

Cyclopentane is a suitable naphthene, or cycloalkane, in a palette for multi-component
gasoline surrogate fuels due to its presence in market fuels and its relevance to alkyl …

Cycloalkanes are an important class of hydrocarbons found in conventional and alternative
transportation fuels. Being one of the simplest practical cycloalkanes, cyclohexane is often …

The enduring quest for a fuel that embodies both high density and superior heat sink
capacity has been a long-standing goal within the scientific community …