On the inertia defect, l-doubling constant and force constant solutions

Autor:	Lucien Bernard, N. Mohan, Achim Müller, Sachchida Nand Rai, Alain J.P. Alix
Rok vydání:	1975
Předmět:	Physics Force field (physics) media_common.quotation_subject Mathematical analysis Rotary inertia Type (model theory) Inertia Biochemistry Planar Classical mechanics Molecule Sensitivity (control systems) Constant (mathematics) media_common
Zdroj:	Journal de Chimie Physique. 72:158-162
ISSN:	0021-7689
DOI:	10.1051/jcp/1975720158
Popis:	The utility of data on the inertia defect (Δ) in determining the unique and exact solutions of the force constants for planar molecules is discussed. The nature of the force field corresponding to the extremal values of Δvib (0), the accuracy of the force constants obtained from inertia defect and use of approximation methods in deriving reliable values of Δvib (0) for XY2 (C2v ) type molecules have been studied in detail. The calculation of the l-doubling constants using approximation methods and their sensitivity to the force field for XYZ(C∞v ) type molecules are also discussed in addition.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::91d9204bc555cff3827459cec3427f91 https://doi.org/10.1051/jcp/1975720158 Zobrazit plný text záznamu