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:
Simple net sign analysis has been carried out for particle in one- and two-dimensional boxes and harmonic oscillators. The conclusion that no simple rule for the ordering of eigenvalues of two-dimensional systems can be drawn is conjectured. Cyclobutadiene, naphthalene, benz-cyclobutadiene, biphenylene, biphenyl, and p-terphenyl are found to behave topologically as particle in either type of potential. Benzene, anthracene, naphthacene, and pentacene are found to behave topologically as particle in a two-dimensional harmonic oscillator. This analysis provides the physical basis for the net sign approach in the signed graph theory.
Zusätzliches Material:
3 Ill.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1002/qua.560390108
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