Introduction to Molecular Dynamics and Chemical Kinetics and Advanced Molecular Dynamics and Chemical Kinetics (2 vol.)
Publisher: John Wiley & Sons
Published: June 13, 1997
Language: eng
Format: Hardcover
Number of pages: 504
ISBN-13: 9780471182030
Subjects: Atomic & molecular physics; Molecular biology; Quantum & theoretical chemistry; Science/Mathematics; Science; Chemistry - Physical & Theoretical; Science / Chemistry / Physical & Theoretical
First sentence: The ultimate goal of a molecular dynamical approach to chemical reaction dynamics is to be able to understand and calculate the rate of chemical reactions from first principles, i.e., given a specific interaction potential for the nuclear motion one should in principle be able to obtain the probabilities, cross sections, and rate constants for fundamental elementary reaction processes by solving the equations of motion for the system.