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Holomorphy rings and higher level orders on skew fields

โœ Scribed by Victoria Powers


Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
561 KB
Volume
136
Category
Article
ISSN
0021-8693

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On the accuracy of higher-order force co
โœ Jeffrey F. Gaw; Nicholas C. Handy ๐Ÿ“‚ Article ๐Ÿ“… 1986 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 502 KB

Cubic and quartic internal coordinate force constants are often obtained by a least-squares fit of a set of ab initio energies to an expansion of the potential energy. The reliability of such a procedure can now be determined, since analytic Cartesian cubic force constants are available which, when