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The influence of symmetry on the conformational dependences of various molecular parameters

AuthorsMaruani, J.; Hernandez-Laguna, A.; Smeyers, Y. G.
Issue Date15-Nov-1975
PublisherAmerican Institute of Physics
CitationJournal of Chemical Physics 63: 4515-4518 (1975)
AbstractIt is shown how the symmetry properties of the linked groups in a molecule help to reduce the number of harmonics in the Fourier series expansions of aggregate, mononuclear, and binuclear parameters as a function of the dihedral angles. This provides a rationalization for some well-known conformational dependences of the torsional potentials, hyperfine couplings, and internuclear interactions and helps to predict how these simple formulas break down when the conformations become more complex. Copyright © 1975 American Institute of Physics.
Description4 pags., 1 fig., 1 tab.
Publisher version (URL)http://dx.doi.org/10.1063/1.431131
Identifiersdoi: 10.1063/1.431131
issn: 0021-9606
Appears in Collections:(IQFR) Artículos
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