Journal ArticleDOI
Approximation methods for the calculation of force constants of a general valence force field in polyatomic molecules - a review
TLDR
A survey of the various approximation methods for the calculation of force constants in polyatomic molecules using a general valence force field model can be found in this article, where the mathematical basis of these solutions is studied in detail with a view to giving their physical properties, significance and hence the limitations in their practical application.About:
This article is published in Journal of Molecular Structure.The article was published on 1975-07-01. It has received 20 citations till now. The article focuses on the topics: Polyatomic ion.read more
Citations
More filters
Journal ArticleDOI
Vibrational spectra and force constants of pure ammine complexes
K.H. Schmidt,Achim Müller +1 more
Journal ArticleDOI
Raman intensities of phosphate and diphosphate ions in aqueous solution
Hans H. Eysel,Kye Taek Lim +1 more
TL;DR: In this article, the Raman intensity spectra of potassium phosphate and diphosphate in aqueous solution have been measured against perchlorate solution as an external standard, and a tentative force field for P2O was calculated.
Journal ArticleDOI
Some principles of normal coordinate analysis of transition metal complexes
Journal ArticleDOI
Vibrational isotope shifts in hexafluoride molecules
TL;DR: In this article, a semi-empirical formula Δ v 3 (cm −1 amu −1 ) = −4.20 v 3 m −1.75, with v 3 in cm −1 and m in amu.
Journal ArticleDOI
On the evaluation of the force field of halogenated ethylenes
K. Ramaswamy,P. Ramanathan +1 more
TL;DR: In this article, an attempt was made to calculate the force fields of ethylene and halogenated ethylenes using Redington's approach, and the mean vibrational amplitude, Coriolis coupling constants and inertia defects were also calculated.
References
More filters
Journal ArticleDOI
Numerical methods for solving linear least squares problems
TL;DR: This paper considers stable numerical methods for handling linear least squares problems that frequently involve large quantities of data, and they are ill-conditioned by their very nature.
Journal ArticleDOI
The Vibrations of Pentatonic Tetrahedral Molecules
TL;DR: In this article, the vibrational frequencies of tetrahedral molecules with respect to the repulsive forces between the corner atoms of the type between ions of crystals or the inert gas atoms were calculated.
Journal ArticleDOI
A Note on the Classification of Normal Vibrations of Molecules
Yonezo Morino,Kozo Kuchitsu +1 more
Journal ArticleDOI
Assignment of ν2 (E) and ν4 (F2) of tetrahedral species by the calculation of the relative Raman intensities: The vibrational spectra of VO43−, CrO42−, MoO42−, WO42−, MnO4−, TcO4−, ReO4−, RuO4, and OsO4
TL;DR: In this paper, a new method has been developed to assign the frequencies ν2(E) and ν4(F2) in tetrahedral molecules and ions.
Journal ArticleDOI
Verwendung einer neuer Methode zur Berechnung von Kraftkonstanten
TL;DR: In this paper, a method for the calculation of a complete set of force constants from the vibrational frequencies and the geometry of a molecule without additional data by means of a digital computer is presented.
Related Papers (5)
The second order secular equation in the theory of molecular vibrations Part II
C.J. Peacock,Achim Müller +1 more