The reaction force. A scalar property to characterize reaction mechanisms

A rare type of reaction to tattoo materials: A granuloma annulare-like reaction

Granuloma annulare represents a reaction pattern that is recognized as idiopathic in many cases but is attributed to a variety of inciting factors in some cases. In this report, we present a case of granuloma annulare-like pattern reaction to tattoo pigment.

The Baeyer-Villiger reaction: solvent effects on reaction mechanisms.

This study focuses on the Baeyer-Villiger reaction of propanone and performic acid, with formic acid as catalyst. Continuum solvation methods (EIF-PCM and CPCM) and two density functionals (B3LYP and MPWB1K) are used to study solvent effects on two types of reaction mechanisms: concerted non-ionic and stepwise ionic. The ionic mechanism is the one found in most organic chemistry textbooks; it b...

Linear Reaction Mechanisms

All topologically distinct linear mechanisms (Le., mechanisms containing one reaction intermediate on both the left-hand and right-hand sides) of chemical reactions involving up to 16 elementary steps, up to 12 intermediates, and up to 6 reaction routes were computer enumerated and generated. The methodology previously developed for classifying, coding, and analyzing the complexity of such mech...

Single-Route Reaction Mechanisms

Graph-theoretical methods for describing complex chemical reactions are reviewed and directed bipartite graphs are found to be the most convenient ones. Subgraphs of reaction intermediates are advocated as a tool for identifying and classifying reaction mechanisms. The notion of reaction intermediate is revisited, and the special class of dualistic intermediates is defined. The topological anal...

Inorganic Reaction Mechanisms