ISSN:
0020-7608
Schlagwort(e):
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Quelle:
Wiley InterScience Backfile Collection 1832-2000
Thema:
Chemie und Pharmazie
Notizen:
With the study of three specific molecules, Na3(C2E″), HCN(X1Σ+), and O3(D1B2), each showing a distinctly different dynamical behavior at the energies studied, we show how techniques of nonlinear classical mechanics can be applied to simulate low resolution vibrational spectra and to extract the underlying dynamics from them. Particularly the importance of the single unstable periodic orbits in the chaotic regions of phase space is demonstrated.
Zusätzliches Material:
6 Ill.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1002/qua.560382443
Permalink