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Multiple solutions of inverse vibrational problems from the parametric approach to two-dimensional species

Authors :
B. Nikolova
Source :
Journal of Molecular Structure. 291:123-133
Publication Year :
1993
Publisher :
Elsevier BV, 1993.

Abstract

The non-iterative parametric approach to solving two-dimensional inverse vibrational problems is discussed with respect to the search for all multiple solutions. Symmetry force constants for acetylene, ethylene, methane, silane, germane, stannane and their deuterium isotopes, for carbon-12 and carbon-13 isotopes of tetrafluoromethane, as well as for ammonia, phosphine, arsine, stibine and their deuterium isotopes, are determined with high accuracy. Good agreement with force fields cited from other authors is observed. The results for the two-dimensional symmetry species of acetylene and ethylene are compared with results of the iterative method of isotopic molecular force constant invariance (B. Nikolova, Commun. Dep. Chem., Bulg. Acad. Sci., 21/2 (1988) 158).

Details

ISSN :
00222860
Volume :
291
Database :
OpenAIRE
Journal :
Journal of Molecular Structure
Accession number :
edsair.doi...........c3ed23d3e34f6df3b99eb99265110ba9
Full Text :
https://doi.org/10.1016/0022-2860(93)80257-v