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Title
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Bibliografía Nacional Química
Description
An account of the resource
Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha.
Contributor
An entity responsible for making contributions to the resource
Departamento de Documentación y Biblioteca
RIQUIM
Document
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PDF
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Title
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<strong>Theoretical investigation of various aspects of two dimensional holey boroxine, B3O3</strong>
Subject
The topic of the resource
BERILIO
BORO
PROPIEDADES ELECTRICAS
PROPIEDADES ELECTRONICAS
PROPIEDADES OPTICA
INVESTIGACION TEORICA
BIBLIOGRAFIA NACIONAL QUIMICA
2019
Abstract
A summary of the resource.
By means of first-principles calculations, we study the structural, electronic and mechanical properties of the newly synthesized boron–oxygen holey framework (Chem. Comm. 2018, 54, 3971). It has a planar structure formed by B3O3 hexagons, which are joined via strong covalent boron–boron bonds. The six B3O3 units are connected with six-fold symmetry exhibiting a large hole with a surface area of 23 Å2, which is ideal for the adsorption of alkalis. For neutral alkalis, we found that the adsorption energy of potassium is 14 and 12 kcal mol−1 larger than those determined for sodium and lithium, respectively. In contrast, for alkali cations, there is a clear preference for lithium over sodium and potassium. With regard to its electronic properties, it is an insulator with an electronic band gap of 5.3 eV, at the HSE level of theory. We further investigate the effect of strain on the band gap and find it a less efficient technique to tune the electronic properties. The wide optical gap of B3O3 can be utilized in ultraviolet (UV) applications, such as UV photodetectors, etc. Additionally, the 2D elastic modulus of B3O3 (53.9 N m−1) is larger than that of Be3N2, silicene, and germanene. Besides, we also report bilayer and graphite-like bulk B3O3 and furthermore, find that the optoelectronic properties of the bilayer can be tuned with an external electric field. The great tunability of optical properties from UV to the visible range offers a vast range of applications in optoelectronics.
Creator
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<a title="Curriculum Vitae" href="https://www.google.com/url?sa=t&rct=j&q=&esrc=s&source=web&cd=1&cad=rja&uact=8&ved=2ahUKEwjAzt352r_mAhUBErkGHSG_ALIQFjAAegQIBBAG&url=https%3A%2F%2Fexportcvuy.anii.org.uy%2Fcv%2F%3F5838628233fef1a83df67e2235d927c4a69fd08d7b3b2cbd45f825b3b0327f2f869df055be96ee401aec1ab3995b9905c1339dbf8b5b1059582d0221c61fa4ea&usg=AOvVaw1-3bMhJ1paRert553HzPBB" target="_self"><strong>Denis, Pablo A.</strong></a>
<strong>Ullah, Saif<br /></strong>
<strong>Sato, Fernando</strong>
Source
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RSC Advances v. 9, no. 64, 2019. -- p. 37526-37536
Publisher
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Royal Society of Chemistry
Date
A point or period of time associated with an event in the lifecycle of the resource
2019
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<p><strong>Información sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislación uruguaya</strong> protege el derecho de autor sobre toda creación literaria, científica o artística, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeción a lo establecido por el derecho común y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006)</p>
<p><strong>ADVERTENCIA -</strong> La consulta de este documento queda condicionada a la aceptación de las siguientes condiciones de uso: Este documento es únicamente para usos privados enmarcados en actividades de investigación y docencia. No se autoriza su reproducción con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilización o cita de partes debe indicarse el nombre de la persona</p>
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DOI:10.1039/C9RA07338H
Berilio
Boro
Investigaciones teóricas
Propiedades electricas
Propiedades electrónicas
Propiedades ópticas
-
https://riquim.fq.edu.uy/files/original/22bb10809724ae33bd86c9994c4ed96f.pdf
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Title
A name given to the resource
Bibliografía Nacional Química
Description
An account of the resource
Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha.
Contributor
An entity responsible for making contributions to the resource
Departamento de Documentación y Biblioteca
RIQUIM
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Title
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<strong>Theoretical characterization of hexagonal 2D Be3N2 monolayer</strong>
Subject
The topic of the resource
GRAFENO
TEORIA FUNCIONAL DE DENSIDAD
PROPIEDADES GEOMETRICAS
PROPIEDADES ELECTRONICAS
PROPIEDADES OPTICAS
BIBLIOGRAFIA NACIONAL QUIMICA
2019
Abstract
A summary of the resource.
First-principles density functional theory (DFT) calculations are performed to assess the stability, and geometric, mechanical, optical and electronic properties of monolayer graphene-like Be3N2. We find that Be3N2 is a large band gap semiconductor with small electron and hole effective masses, which may promote its use in nanoelectronic devices. Furthermore, its excellent thermal, dynamical, and mechanical stability makes it a material of comparable caliber to that of graphene. In addition, the excellent electrochemical properties of Be3N2 make it a unique material with possible theoretical capacities of 974 mA h g−1 for Li, Na, and K. Moreover, Be3N2 can form bulk graphite-like layered structures with two different configurations, i.e. N2–N1 and N2–Be1. Finally, the derivatives of Be3N2 (Be3N2 nanoribbons) also possess direct band gaps which can be finely tuned to the desired level by geometry and morphology constraints. Based on these fascinating properties, Be3N2 and its derivatives can find a broad range of applications in nanoelectronics and battery technologies.
Creator
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<strong>Ullah, Saif</strong>
<a title="Curriculum Vitae" href="https://www.google.com/url?sa=t&rct=j&q=&esrc=s&source=web&cd=1&cad=rja&uact=8&ved=2ahUKEwjAzt352r_mAhUBErkGHSG_ALIQFjAAegQIBBAG&url=https%3A%2F%2Fexportcvuy.anii.org.uy%2Fcv%2F%3F5838628233fef1a83df67e2235d927c4a69fd08d7b3b2cbd45f825b3b0327f2f869df055be96ee401aec1ab3995b9905c1339dbf8b5b1059582d0221c61fa4ea&usg=AOvVaw1-3bMhJ1paRert553HzPBB" target="_self"><strong>Denis, Pablo A.</strong></a>
<strong>Capaz, Rodrigo B.</strong>
<strong>Sato, Fernando</strong>
Source
A related resource from which the described resource is derived
New Journal of Chemistry v. 43, no. 7, 2019. -- p.2933-2941
Publisher
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Royal Society of Chemistry
Date
A point or period of time associated with an event in the lifecycle of the resource
2019
Rights
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<p><strong>Información sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong> La legislación uruguaya</strong> protege el derecho de autor sobre toda creación literaria, científica o artística, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeción a lo establecido por el derecho común y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006)</p>
<p><strong>ADVERTENCIA -</strong> La consulta de este documento queda condicionada a la aceptación de las siguientes condiciones de uso: Este documento es únicamente para usos privados enmarcados en actividades de investigación y docencia. No se autoriza su reproducción con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilización o cita de partes debe indicarse el nombre de la persona autora.</p>
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Pdf
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Artículo
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DOI:10.1039/C8NJ05600E
Grafeno
Propiedades electricas
Propiedades Geometrica
Propiedades ópticas
Teoria funcional de densidad
-
https://riquim.fq.edu.uy/files/original/4a97d2bdac24d55a20534bb866b0021c.pdf
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Title
A name given to the resource
Bibliografía Nacional Química
Description
An account of the resource
Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha.
Contributor
An entity responsible for making contributions to the resource
Departamento de Documentación y Biblioteca
RIQUIM
Document
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Title
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<strong>Electrodeposited Cu2O doped with Cl : Electrical and optical properties</strong>
Subject
The topic of the resource
OXIDO DE COBRE
PROPIEDADES OPTICAS
PROPIEDADES ELECTRICAS
BIBLIOGRAFIA NACIONAL QUIMICA
2018
Abstract
A summary of the resource.
For understanding the electrical and optical properties of electrodeposited Cl-doped Cu2O thin films, we have studied layers with increasing thickness and Cl concentrations of 0.8 and 1.2 at. %. The deposits were characterized by measuring the charge transport, the optical reflectance, and the photoluminescence. No significant decrease of electrical resistivity was observed in doped samples compared to undoped ones. A decrease of about five orders of magnitude was measured and ascribed to the presence of pinholes, as confirmed by scanning electron microscopy analyses. From optical measurements, we concluded that the Cl atoms are incorporated into substitutional sites of Cu2O lattices in agreement with photoluminescence results showing a strong reduction in the peak intensity of VO+2 defects in comparison to undoped layers. Computational calculation using density functional theory has pointed out high formation energy for single Cl related defects, but low formation energy for Cl-defect complexes, such as ClO + VCu, that strongly compensate the carriers generated by the Cl doping.
Creator
An entity primarily responsible for making the resource
<strong>Pelegrini, S.</strong>
<strong>Tumelero, M. A.</strong>
<strong>Brandt, Iuri S</strong>
<strong>Della Pace, R. D.</strong>
<a title="Curriculum Vitae" href="https://exportcvuy.anii.org.uy/CvEstatico/?urlId=2f2e59581473324400ee29ded741b9090cc25a893e73d02669ebfbc674c9e8b9b51bb30e2bca064dc7ebbd5c39aa3c844e86e507301e912aa1b0a5ae17423fa2&formato=pdf&convocatoria=21" target="_self"><strong>Faccio, Ricardo.</strong></a>
<strong>Pasa, A. A.</strong>
Source
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Journal of Applied Physics 123 (16), art. no. 161567, v. 123, no. 16, 2018. -- 8p.-- e161567
Publisher
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AIP
Date
A point or period of time associated with an event in the lifecycle of the resource
2018
Rights
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<p><strong>Información sobre Derechos de Autor </strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislación uruguaya protege el derecho</strong> de autor sobre toda creación literaria, científica o artística, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeción a lo establecido por el derecho común y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006)</p>
<p><strong>ADVERTENCIA -</strong> La consulta de este documento queda condicionada a la aceptación de las siguientes condiciones de uso: Este documento es únicamente para usos privados enmarcados en actividades de investigación y docencia. No se autoriza su reproducción con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilización o cita de partes debe indicarse el nombre de la persona autora.</p>
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PDF
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Artículo
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DOI: 10.1063/1.5004782
Oxido de cobre
Propiedades electricas
Propiedades ópticas
-
https://riquim.fq.edu.uy/files/original/432a02653c9ed9c60afa60854cfadc86.pdf
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Title
A name given to the resource
Bibliografía Nacional Química
Description
An account of the resource
Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha.
Contributor
An entity responsible for making contributions to the resource
Departamento de Documentación y Biblioteca
RIQUIM
Document
A resource containing textual data. Note that facsimiles or images of texts are still of the genre text.
Original Format
If the image is of an object, state the type of object, such as painting, sculpture, paper, photo, and additional data
PDF
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Title
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<strong>Defects controlling electrical and optical properties of electrodeposited Bi doped Cu2O</strong>
Subject
The topic of the resource
OXIDO DE COBRE
PROPIEDADES ELECTRICAS
PROPIEDADES OPTICAS
BIBLIOGRAFIA NACIONAL QUIMICA
2018
Abstract
A summary of the resource.
Doping leading to low electrical resistivity in electrodeposited thin films of Cu2O is a straightforward requirement for the construction of efficient electronic and energy devices. Here, Bi (7 at. %) doped Cu2O layers were deposited electrochemically onto Si(100) single-crystal substrates from aqueous solutions containing bismuth nitrate and cupric sulfate. X-ray photoelectron spectroscopy shows that Bi ions in a Cu2O lattice have an oxidation valence of 3+ and glancing angle X-ray diffraction measurements indicated no presence of secondary phases. The reduction in the electrical resistivity from undoped to Bi-doped Cu2O is of 4 and 2 orders of magnitude for electrical measurements at 230 and 300 K, respectively. From variations in the lattice parameter and the refractive index, the electrical resistivity decrease is addressed to an increase in the density of Cu vacancies. Density functional theory (DFT) calculations supported the experimental findings. The DFT results showed that in a 6% Bi doped Cu2O cell, the formation of Cu vacancies is more favorable than in an undoped Cu2O one. Moreover, from DFT data was observed that there is an increase (decrease) of the Cu2O band gap (activation energy) for 6% Bi doping, which is consistent with the experimental results.
Creator
An entity primarily responsible for making the resource
<strong>Brandt, Iuri S.</strong>
<strong>Tumelero, Milton A.</strong>
<strong>Martins, César A.</strong>
<strong>Plá Cid, Cristiani C.</strong>
<a title="Curriculum Vitae" href="https://exportcvuy.anii.org.uy/CvEstatico/?urlId=2f2e59581473324400ee29ded741b9090cc25a893e73d02669ebfbc674c9e8b9b51bb30e2bca064dc7ebbd5c39aa3c844e86e507301e912aa1b0a5ae17423fa2&formato=pdf&convocatoria=21" target="_self"><strong>Faccio, Ricardo.</strong></a>
<strong>Pasa, André A.</strong>
Source
A related resource from which the described resource is derived
Journal of Applied Physics v. 123, no. 16, 2018. -- 11p.--e161412
Publisher
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AIP
Date
A point or period of time associated with an event in the lifecycle of the resource
2018
Rights
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<p><strong>Información sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislación uruguaya protege el derecho</strong> de autor sobre toda creación literaria, científica o artística, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeción a lo establecido por el derecho común y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006)</p>
<p><strong>ADVERTENCIA -</strong> La consulta de este documento queda condicionada a la aceptación de las siguientes condiciones de uso: Este documento es únicamente para usos privados enmarcados en actividades de investigación y docencia. No se autoriza su reproducción con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilización o cita de partes debe indicarse el nombre de la persona autora.</p>
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PDF
Language
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Inglés
Type
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Artículo
Identifier
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DOI: 10.1063/1.5007052
Oxido de cobre
Propiedades electricas
Propiedades ópticas
-
https://riquim.fq.edu.uy/files/original/1fafc0d5c371ecb28e0810ec80f556e2.pdf
0ebebc2e46cd599f97051dd7aefd7031
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Title
A name given to the resource
Bibliografía Nacional Química
Description
An account of the resource
Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha.
Contributor
An entity responsible for making contributions to the resource
Departamento de Documentación y Biblioteca
RIQUIM
Document
A resource containing textual data. Note that facsimiles or images of texts are still of the genre text.
Original Format
If the image is of an object, state the type of object, such as painting, sculpture, paper, photo, and additional data
PDF
Dublin Core
The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/.
Title
A name given to the resource
<strong>Electronic properties and free radical production by nitrofuran compounds</strong>
Subject
The topic of the resource
NITROFURANOS - COMPUESTOS
PROPIEDADES ELECTRICAS
RADICALES LIBRES
1992
Abstract
A summary of the resource.
Substitution of nifurtimox tetrahydrothiazine moiety by triazol-4-yl, benzimidazol-1-yl, pyrazol-1-yl or related aromatic nitrogen heterocycles determines changes in the quantum chemistry descriptors of the molecule, namely, (a) greater negative LUMO energy; (b) lesser electron density on specific atoms, especially on the nitro group atoms, and (c) modification of individual net atomic charges at relevant atoms. These variations correlate with the greater capability of nifurtimox analogues for redox-cycling and oxygen radical production, after one-electron reduction by ascorbate or reduced flavoenzymes. Variation of the nitrofurans electronic structure can also explain the greater activity of nifurtimox analogues as inhibitors of glutathione reductase and Trypanosoma cruzi growth, although other factors, such as molecular hydrophobicity and connectivity may contribute to the latter inhibition.
Creator
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<a title="Curriculum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=2e3c62395a54ce79c86b7e4fa4b5c3f9" target="_blank"><strong>Paulino, M.</strong></a>
<strong>Hansz, M.</strong>
<strong>Hikichi, N.</strong>
<strong>Stoppani, A.</strong>
Source
A related resource from which the described resource is derived
Free. Rad. Res. Comm. v. 16, 1992. -- p. 207
Publisher
An entity responsible for making the resource available
Wiley
Date
A point or period of time associated with an event in the lifecycle of the resource
1992
Rights
Information about rights held in and over the resource
<p><strong>Información sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislación uruguaya protege el derecho</strong> de autor sobre toda creación literaria, científica o artística, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeción a lo establecido por el derecho común y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006)</p>
<p><strong>ADVERTENCIA -</strong> La consulta de este documento queda condicionada a la aceptación de las siguientes condiciones de uso: Este documento es únicamente para usos privados enmarcados en actividades de investigación y docencia. No se autoriza su reproducción con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilización o cita de partes debe indicarse el nombre de la persona autora.</p>
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PDF
Language
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Inglés
Type
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Artículo
Identifier
An unambiguous reference to the resource within a given context
DOI: 10.1002/bmb.1986.5690140107
Nitrofuranos
Propiedades electricas
Radicales libres