Trajectory simulation studies of diffusion-controlled reactions

1 January 1987

journal article
research article
Published by Royal Society of Chemistry (RSC) in Faraday Discussions of the Chemical Society

Vol. 83 (83) , 213-222
https://doi.org/10.1039/dc9878300213

Abstract

Computer simulations of the Brownian trajectories of reactant molecules in solution can be used to calculate the rates of diffusion-controlled reactions. This paper presents new derivations of some of the basic equations used in such calculations and the results of applications to two problems from biology.

Keywords

PRESENTS NEW
COMPUTER SIMULATIONS
EQUATIONS USED
NEW DERIVATIONS
BASIC EQUATIONS
REACTIONS COMPUTER
REACTANT MOLECULES
TRAJECTORY SIMULATION
TWO PROBLEMS
SIMULATION STUDIES