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Algebraic method for determining the potential energy surface for nonlinear triatomic molecules

โœ Scribed by Yujun Zheng; Shiliang Ding

Book ID
108430847
Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
182 KB
Volume
247
Category
Article
ISSN
0301-0104

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๐Ÿ“œ SIMILAR VOLUMES

Potential energy surfaces for stable tri
Potential energy surfaces for stable triatomic molecules using an algebraic Hamiltonian
โœ I. Benjamin; R.D. Levine ๐Ÿ“‚ Article ๐Ÿ“… 1985 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 631 KB

A coordinate representation for a polenlial energy surface is derived usmg the semiclassical hmil of the algebrax Hamihonian This provides a direct route rrom the observed ovenone spectrum IO a potential. The limilalions of this potenual are noted. Applicallons lo HCN. H,O. SO2 and 0, are reported.

A fitting program for potential energy s
A fitting program for potential energy surfaces of bent triatomic molecules
โœ D.J. Searles; E.I. von Nagy-Felsobuki ๐Ÿ“‚ Article ๐Ÿ“… 1992 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 534 KB

A program has been developed in order to fit analytical power series expansions (Dunham, Simon-Parr-Finlan, Ogilvie and their exponential variants) and Padรฉ approximants to discrete ab initio potential energy surfaces of non-linear triatomic molecules. The program employs standard least-squares fitt

Potential energy surface determinations
Potential energy surface determinations for nonrigid molecules: Application to acetone
โœ Yves G. Smeyers; M. Nieves Bellido ๐Ÿ“‚ Article ๐Ÿ“… 1983 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 504 KB

## Abstract In the present work, the problem of the determination of the potential energy surface for nonrigid molecules is examined in the case of the double rotation of the methyl groups in acetone. From the symmetry adapted functional form for the potential, the minimum number of configurations