Interpretation of chemical rate selectivity data in homogeneous and heterogeneous reaction systems. Development and application of the theory of chemical kinetics, including collision, transition ...

A hot gas dissociates very quickly, on the order of microseconds. One might think we could neglect the speed of dissociation, then, and model the gas in an equilibrium state. However, many things ...

Chemical kinetics investigates the rates at which reactions occur and the factors that influence these rates, while transition state theory (TST) provides a rigorous framework for understanding the ...

Chemical kinetics and reaction dynamics form the cornerstone of our understanding of how reactions proceed, detailing the temporal evolution of chemical processes from the microscopic to the ...

In addition to an interest in computer modeling and statistical analysis methods, a career in computational chemistry requires patience, logical thinking, and attention to detail. “People skills” are ...