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http://hdl.handle.net/10261/218801
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Campo DC | Valor | Lengua/Idioma |
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dc.contributor.author | Maruani, J. | - |
dc.contributor.author | Hernández-Laguna, Alfonso | - |
dc.contributor.author | Smeyers, Y. G. | - |
dc.date.accessioned | 2020-08-28T08:01:07Z | - |
dc.date.available | 2020-08-28T08:01:07Z | - |
dc.date.issued | 1975-11-15 | - |
dc.identifier | doi: 10.1063/1.431131 | - |
dc.identifier | issn: 0021-9606 | - |
dc.identifier.citation | Journal of Chemical Physics 63: 4515-4518 (1975) | - |
dc.identifier.uri | http://hdl.handle.net/10261/218801 | - |
dc.description | 4 pags., 1 fig., 1 tab. | - |
dc.description.abstract | It 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. | - |
dc.language | eng | - |
dc.publisher | American Institute of Physics | - |
dc.relation.isversionof | Publisher's version | - |
dc.rights | openAccess | - |
dc.title | The influence of symmetry on the conformational dependences of various molecular parameters | - |
dc.type | artículo | - |
dc.identifier.doi | 10.1063/1.431131 | - |
dc.relation.publisherversion | http://dx.doi.org/10.1063/1.431131 | - |
dc.date.updated | 2020-08-28T08:01:07Z | - |
dc.relation.csic | No | - |
dc.type.coar | http://purl.org/coar/resource_type/c_6501 | es_ES |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.fulltext | With Fulltext | - |
item.cerifentitytype | Publications | - |
item.openairetype | artículo | - |
item.grantfulltext | open | - |
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The influence of symmetry.pdf | 605,93 kB | Adobe PDF | Visualizar/Abrir |
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