PubMed Health⌕ Search

Biomedical subjects

Debesh Ranjan Roy

Publications and source records attributed to Debesh Ranjan Roy.

4 recordsLinked to original sources

A possible union of chemical bonding, reactivity, and kinetics.

In this communication, we report for the first time the reactivity behavior at the transition state, the connection between the equireactivity configuration and the activation barrier, and a possible principle of reactivity conservation along the reaction paths of typical thermoneutral and exo (endo) thermic reactions.

Journal Article↗

Local descriptors around a transition state: a link between chemical bonding and reactivity.

In this communication, we report for the first time the possible existence of a point of inflection in the profile of a local reactivity descriptor around the transition state. The saddle point of the given reaction coincides with this inflection point which becomes transparent when two such profiles corresponding to bond making and bond breaking processes respectively intersect at the transition state for the thermoneutral reactions. The corresponding ramification of the Hammond postulate for the exo(endo) thermic reactions is also discussed.

Letter↗