Electronic Resource
Springer
Theoretical chemistry accounts
49 (1978), S. 211-222
ISSN:
1432-2234
Keywords:
Force constants
;
Symmetry coordinates
;
Normal vibrations
;
Tetrahedral molecule
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract The matrix of force constants of a symmetric molecule is reduced to its invariants (nearly diagonal form). For the case of distance dependent potentials these invariants are expressed by the derivations of the potentials and geometric factors. For the purpose of parametrization the inversions of these formulae are derived. The general equilibrium condition and the elimination of the translational and rotational coordinates are discussed. The example of the tetrahedral AB4 structure is worked out.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00550032
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