We present a novel approach to represent ecological systems using reaction networks, and show how a particular framework called chemical organization theory (COT) sheds new light on the longstanding complexity–stability ...

The nonlinearities found in molecular networks usually prevent mathematical analysis of network behaviour, which has largely been studied by numerical simulation. This can lead to difficult problems of parameter determination. ...

Similarity studies are important for chemistry and their applications range from the periodic table to the screening of large databases in the searching for new drugs. In this later case, it is assumed that similarity in ...

A mechanism for the kinetic instabilities observed in the galvanostatic electro-oxidation of methanol is suggested and a model developed. The model is investigated using stoichiometric network analysis as well as concepts ...

While the phenomena of reaching a goal is generally represented in the framework of optimization, the phenomena of becoming of a goal is more similar to a “self-organization and emergent” rather than an “optimization and ...

Estructura y actividad son conceptos centrales y sin embargo ambiguos de la química que admiten una variedad de denotaciones distintas. La popular (aún si raramente explícita) identificación de estructura química con una ...

Using first-principles molecular dynamics (AIMD) and constrained density functional theory (CDFT) we identify the pathway of primary electron transfer in the R. Sphaeroides reaction center from the special pair excited ...