It is well known that polyethylene (PE) generates CO 2 during photo-oxidative aging;
however, there is still some ambiguity in the exact mechanistic steps involved. In this work …

Although natural polyphenols have attracted extended attention as antioxidants, there is
only limited information available on their structure-activity relationship (SAR). In addition …

The validation of octanol-water partition coefficients (logP) quantum chemical calculations is
presented for 27 alkane alcohols. The chemical accuracy of predicted logP values was …

Labelling and detecting 5‐formylpyrimidine is essential to understand its biological function.
Herein, we describe a visible‐light triggered and catalyst‐free reaction in which 5 …

The quantum chemical study of phenols cytotoxicity extended to their metabolites is
presented. Based on Osingle bondH bond dissociation enthalpies (BDE) and octanol-water …

The intermolecular complex with a CHN hydrogen bond formed by 1, 1-dinitroethane (DNE)
and 2, 4, 6-trimethylpyridine (collidine) dissolved in CD2Cl2 was studied experimentally by …

In this study, the anticancer properties of a series of synthesized indolyl-oxazoles drugs 1–6
and their interactions with DNA base pairs were investigated. The quantum molecular …

B3LYP study of 7 naturally occurring sterols was carried out in terms of Osingle bondH and
Csingle bondH bond dissociation enthalpies (BDE) to identify thermodynamically favored …

The contribution of the low-energy excited states to the overall product formation in the
radiolysis of simple aromatic liquids―benzene, pyridine, toluene, and aniline―has been …

Publisher Summary This chapter describes the chemistry of reactive radical intermediates in
combustion and the atmosphere. Combustion processes convert chemical energy into heat …