SYMMETRY PROPERTIES OF THE INTERNAL COORDINATE SPACE DERIVED FROM ITS METRICAL TENSOR (G MATRIX).

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Title: SYMMETRY PROPERTIES OF THE INTERNAL COORDINATE SPACE DERIVED FROM ITS METRICAL TENSOR (G MATRIX).
Creators: Dellepiane, G.; Gussoni, M.; Zerbi, Giusepp
Issue Date: 1969
Publisher: Ohio State University
Abstract: In the present paper it is shown that the G matrix provides directly: 1) the point group to which the molecule belongs (characters of the irreducible representations); 2) the separation into symmetry species of the symmetry coordinates derived, as already discussed$^{1}$ by diagonalization of the G matrix; and 3) the symmetry properties of the potential energy matrix. On the basis of this method a program has been written which, given the G matrix as input, computes the properly factorized G and V. F. F. Z matrices. The method may also be extended to chain molecules.
Description: $^{1}$ M. Gussoni, G. Zerbi, J. Mol. Spectry, 26, 485 (1968).
Author Institution: Istituto di Chimica dell Macromolecole, c/o Istituto Chimica Industriale
URI: http://hdl.handle.net/1811/15872
Other Identifiers: 1969-U-15
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