Reaction profiles and energy surfaces of compressed species.

Both experiment and first principles calculations unequivocally indicate that properties of elements and their compounds undergo a tremendous transformation at ultrahigh pressures exceeding 1 Mbar due to the fact that the difference between intra- and intermolecular interactions disappears under such conditions. Yet, even at much milder pressures of 50-300 kbar, when molecules still retain their individual identity, their chemical properties and reactivity change dramatically. Since kinetics and mechanisms of condensed-phase reactions are described in terms of their potential energy (PES) or Gibbs energy (GES) surfaces, chemical effects of high pressure can be assessed through analysis of pressure-induced deformations of GES of solvated reaction systems.

Partition, sorption and structure activity relation study of dialkoxybenzenes that modulate insect behavior.

Some dialkoxybenzenes are promising new insect control agents. These compounds mimic naturally occurring odorants that modulate insect behavior. Before applying these compounds, however, their persistence and biodegradability at the application site and in the environment should be understood.