1 / VOL. 1, NO. 4 ISSN 1430-4171
THE CHEMICAL EDUCATOR http://journals.springer-ny.com/chedr
© 1996 SPRINGER-VERLAG NEW YORK, INC. 10.1007/s00897960051a
Computers in Chemistry
Using Java to Animate
the Vibrations of
Molecules: Calculation and
Visualization of Molecular
Vibrations in (NSF)
3
J. L. YARGER
1
, A. CHIZMESHYA
2
, B. K. YARGER
3
1
Department of Chemistry and Biochemistry
2
Material Research Group
3
Department of Information Technology
Arizona State University
Tempe, AZ 85287
Animation of
molecular
vibrations can
greatly aid in the
physical
understanding of
vibrational
spectroscopy…
he ability to animate molecular motion and
interactively rotate the system in three-dimensional
space is extremely helpful in communicating
chemical concepts such as reactions and molecular
vibrations. Here, we present a Java program and a chemical
plug-in that allows the animation of molecules within popular
world wide web browsers. To illustrate the usefulness of
animation as a visualization aid, the molecular vibrations of
(NSF)
3
are simulated using a general atomic and molecular
electronic structure system (GAMESS).
Introduction
The ability to animate chemical motion is a standard feature in
numerous software programs [1]. Through definition of a mime
type and helper applications, software programs can
T