A treatment of the torsional wave equation with an internal rotation constant depending on a torsional angle via point canonical transformation

A numerical method using a canonical point transformation has been developed for determining the energy levels of the internal rotation of asymmetric rotors. An internal rotation constant is assumed to be a function of a torsional angle.

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Bibliographische Detailangaben
Veröffentlicht in:	Journal of mathematical chemistry 2010-05, Vol.47 (4), p.1468-1475
1. Verfasser:	Strekalov, M. L.
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemistry Chemistry and Materials Science Letter to the Editor Math. Applications in Chemistry Physical Chemistry Theoretical and Computational Chemistry
Online-Zugang:	Volltext
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Beschreibung
Zusammenfassung:	A numerical method using a canonical point transformation has been developed for determining the energy levels of the internal rotation of asymmetric rotors. An internal rotation constant is assumed to be a function of a torsional angle.
ISSN:	0259-9791 1572-8897
DOI:	10.1007/s10910-009-9617-2