Registro completo de metadatos
| Campo DC | Valor | Lengua/Idioma |
|---|---|---|
| dc.creator | Iriarte, Ana Graciela | - |
| dc.creator | Cutin, Edgardo Hugo | - |
| dc.creator | Alvarez, Rosa Maria Susana | - |
| dc.creator | Mews, Rudger | - |
| dc.creator | Oberhammer, Heinz | - |
| dc.date | 2018-07-26T21:58:44Z | - |
| dc.date | 2018-07-26T21:58:44Z | - |
| dc.date | 2009-02 | - |
| dc.date | 2018-07-23T13:54:48Z | - |
| dc.date.accessioned | 2019-04-29T15:48:28Z | - |
| dc.date.available | 2019-04-29T15:48:28Z | - |
| dc.date.issued | 2009-02 | - |
| dc.identifier | Iriarte, Ana Graciela; Cutin, Edgardo Hugo; Alvarez, Rosa Maria Susana; Mews, Rudger; Oberhammer, Heinz; Sulfur tetrafluoride methylimide, CH3NS=F4: Vibrational spectra and quantum chemical calculations; Elsevier Science; Journal of Molecular Structure; 919; 1-3; 2-2009; 343-347 | - |
| dc.identifier | 0022-2860 | - |
| dc.identifier | http://hdl.handle.net/11336/53261 | - |
| dc.identifier | CONICET Digital | - |
| dc.identifier | CONICET | - |
| dc.identifier.uri | http://rodna.bn.gov.ar:8080/jspui/handle/bnmm/302568 | - |
| dc.description | Infrared (gas) and Raman (liquid) spectra of sulfur tetrafluoride methylimide, CH3N{double bond, long}SF4, were recorded and interpreted. Structural, vibrational and configurational properties were derived from quantum chemical calculations [HF, MP2 and B3LYP methods with 6-311+G(2df,p) basis sets]. The assignment of the normal modes of vibrations was carried out by comparison with analogous molecules and with calculated frequencies and intensities. All theoretical approaches predict the existence of a unique form in the fluid phases which possesses CS symmetry, in good agreement with experimental results. | - |
| dc.description | Fil: Iriarte, Ana Graciela. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina | - |
| dc.description | Fil: Cutin, Edgardo Hugo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tucumán. Instituto de Química del Noroeste. Universidad Nacional de Tucumán. Facultad de Bioquímica, Química y Farmacia. Instituto de Química del Noroeste; Argentina | - |
| dc.description | Fil: Alvarez, Rosa Maria Susana. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tucumán. Instituto de Química del Noroeste. Universidad Nacional de Tucumán. Facultad de Bioquímica, Química y Farmacia. Instituto de Química del Noroeste; Argentina | - |
| dc.description | Fil: Mews, Rudger. Universitat Bremen; Alemania | - |
| dc.description | Fil: Oberhammer, Heinz. Universität Tübingen; Alemania | - |
| dc.format | application/pdf | - |
| dc.format | application/pdf | - |
| dc.format | application/pdf | - |
| dc.format | application/pdf | - |
| dc.format | application/pdf | - |
| dc.language | eng | - |
| dc.publisher | Elsevier Science | - |
| dc.relation | info:eu-repo/semantics/altIdentifier/doi/https://dx.doi.org/10.1016/j.molstruc.2008.10.004 | - |
| dc.relation | info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0022286008006509 | - |
| dc.rights | info:eu-repo/semantics/restrictedAccess | - |
| dc.rights | https://creativecommons.org/licenses/by-nc-sa/2.5/ar/ | - |
| dc.source | reponame:CONICET Digital (CONICET) | - |
| dc.source | instname:Consejo Nacional de Investigaciones Científicas y Técnicas | - |
| dc.source | instacron:CONICET | - |
| dc.source.uri | http://hdl.handle.net/11336/70581 | - |
| dc.subject | QUANTUM CHEMICAL CALCULATIONS | - |
| dc.subject | SULFUR TETRAFLUORIDE METHYLIMIDE | - |
| dc.subject | VIBRATIONAL SPECTRA | - |
| dc.subject | Otras Ciencias Químicas | - |
| dc.subject | Ciencias Químicas | - |
| dc.subject | CIENCIAS NATURALES Y EXACTAS | - |
| dc.title | Sulfur tetrafluoride methylimide, CH3NS=F4: Vibrational spectra and quantum chemical calculations | - |
| dc.type | info:eu-repo/semantics/article | - |
| dc.type | info:eu-repo/semantics/publishedVersion | - |
| dc.type | info:ar-repo/semantics/articulo | - |
| Aparece en las colecciones: | CONICET | |
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