Optical Properties in Biopolymers: Lignin Fragments
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| Format: | Artículo científico |
| Sprache: | en |
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Sociedade Brasileira de Física
2006
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| _version_ | 1876479301958762496 |
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| author | P. J. Salazar-Valencia |
| author_facet | P. J. Salazar-Valencia |
| contents | Optical Properties in Biopolymers: Lignin Fragments P. J. Salazar-Valencia S. T. Pérez-Merchancano L. E. Bolívar-Marinéz Física, Astronomía y Matemáticas Lignin Biopolymers Optical properties Semiempirical methods The lignin is an extremely challenging natural material with wide and interesting applications, during the lasttwo decades, great efforts have been dedicated to the study of its optical properties. About this subject have occurredmany controversial opinions because of the nature and interactions of this material with other componentsof the vegetal cellular wall. In this work we will explore and simulate the electronic absorption and vibrationsspectrums based on the semiempirical geometrical and quantum mechanics optimizations of amorphous two andtree units softwoods lignin fragments of Coniferyl Alcohol. These fragments were previously obtained usingthe semiempirical methods, Modified Neglect of Diatomic Overlap MNDO and Zerners spectroscopic versionof the Intermediate Neglect of Differential Overlap in configuration interactions mode: ZINDO/S CI. 2006 artículo científico 0103-9733 https://www.redalyc.org/articulo.oa?id=46436511 en http://www.redalyc.org/revista.oa?id=464 Brazilian Journal of Physics application/pdf Sociedade Brasileira de Física Brazilian Journal of Physics (Brasil) Num.3B Vol.36 |
| format | Artículo científico |
| id | redalyc_46436511 |
| institution | Redalyc |
| language | en |
| publishDate | 2006 |
| publisher | Sociedade Brasileira de Física |
| spellingShingle | Optical Properties in Biopolymers: Lignin Fragments P. J. Salazar-Valencia Física, Astronomía y Matemáticas Lignin Biopolymers Optical properties Semiempirical methods Optical Properties in Biopolymers: Lignin Fragments P. J. Salazar-Valencia S. T. Pérez-Merchancano L. E. Bolívar-Marinéz Física, Astronomía y Matemáticas Lignin Biopolymers Optical properties Semiempirical methods The lignin is an extremely challenging natural material with wide and interesting applications, during the lasttwo decades, great efforts have been dedicated to the study of its optical properties. About this subject have occurredmany controversial opinions because of the nature and interactions of this material with other componentsof the vegetal cellular wall. In this work we will explore and simulate the electronic absorption and vibrationsspectrums based on the semiempirical geometrical and quantum mechanics optimizations of amorphous two andtree units softwoods lignin fragments of Coniferyl Alcohol. These fragments were previously obtained usingthe semiempirical methods, Modified Neglect of Diatomic Overlap MNDO and Zerners spectroscopic versionof the Intermediate Neglect of Differential Overlap in configuration interactions mode: ZINDO/S CI. 2006 artículo científico 0103-9733 https://www.redalyc.org/articulo.oa?id=46436511 en http://www.redalyc.org/revista.oa?id=464 Brazilian Journal of Physics application/pdf Sociedade Brasileira de Física Brazilian Journal of Physics (Brasil) Num.3B Vol.36 |
| title | Optical Properties in Biopolymers: Lignin Fragments |
| topic | Física, Astronomía y Matemáticas Lignin Biopolymers Optical properties Semiempirical methods |
| url | https://www.redalyc.org/articulo.oa?id=46436511 |