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| Campo DC | Valor | Lengua/Idioma |
|---|---|---|
| dc.provenance | Facultad de Ciencias Exactas y Naturales de la UBA | - |
| dc.contributor | Ligabue, A. | - |
| dc.contributor | Lazzeretti, P. | - |
| dc.contributor | <div class="autor_fcen" id="708">Béccar Varela, M.P.</div> | - |
| dc.contributor | <div class="autor_fcen" id="3115">Ferraro, M.B.</div> | - |
| dc.creator | Ligabue, A. | - |
| dc.creator | Lazzeretti, P. | - |
| dc.creator | <div class="autor_fcen" id="708">Béccar Varela, M.P.</div> | - |
| dc.creator | <div class="autor_fcen" id="3115">Ferraro, M.B.</div> | - |
| dc.date.accessioned | 2018-05-04T22:05:45Z | - |
| dc.date.accessioned | 2018-05-28T15:47:46Z | - |
| dc.date.available | 2018-05-04T22:05:45Z | - |
| dc.date.available | 2018-05-28T15:47:46Z | - |
| dc.date.issued | 2002 | - |
| dc.identifier.uri | http://10.0.0.11:8080/jspui/handle/bnmm/68353 | - |
| dc.description | A scheme for resolving average optical rotatory power of a molecule into atomic contributions, applied to hydrogen peroxide, is presented. The scheme is based on the acceleration gauge for the electric dipole, and the torque formalism. Calculations are carried out to test the reliability of the partition method. The force and torque gauges provide different numerical values for atomic contributions. | - |
| dc.description | Fil:Béccar Varela, M.P. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. | - |
| dc.description | Fil:Ferraro, M.B. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. | - |
| dc.format | application/pdf | - |
| dc.language | eng | - |
| dc.rights | info:eu-repo/semantics/openAccess | - |
| dc.rights | http://creativecommons.org/licenses/by/2.5/ar | - |
| dc.source | J Chem Phys 2002;116(15):6427-6434 | - |
| dc.source.uri | http://digital.bl.fcen.uba.ar/Download/paper/paper_00219606_v116_n15_p6427_Ligabue.pdf | - |
| dc.subject | Convergence of numerical methods | - |
| dc.subject | Hamiltonians | - |
| dc.subject | Molecular dynamics | - |
| dc.subject | Optical resolving power | - |
| dc.subject | Optical rotation | - |
| dc.subject | Torque | - |
| dc.subject | Optical rotatory power | - |
| dc.subject | Hydrogen peroxide | - |
| dc.title | On the resolution of the optical rotatory power of chiral molecules into atomic terms. A study of hydrogen peroxide | - |
| dc.type | info:eu-repo/semantics/article | - |
| dc.type | info:ar-repo/semantics/artículo | - |
| dc.type | info:eu-repo/semantics/publishedVersion | - |
| Aparece en las colecciones: | FCEN - Facultad de Ciencias Exactas y Naturales. UBA | |
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