Computer Simulation in Chemical Kinetics

See allHide authors and affiliations

Science  27 Nov 1981:
Vol. 214, Issue 4524, pp. 981-986
DOI: 10.1126/science.214.4524.981


Numerical methods for modeling complex chemical reactions are being used to gain insight into the mechanisms of these systems as well as to provide a capability for predicting their behavior from a knowledge of elementary physical and chemical processes. The state of the art is reviewed, and some projections about likely future developments are made.