Výsledky vyhledávání - "Valentín G. Baonza"

Akademický článek

Torsion Effects Beyond the δ Bond and the Role of π Metal‐Ligand Interactions

Autor: Almudena Inchausti, Rosa Mollfulleda, Marcel Swart, Josefina Perles, Santiago Herrero, Valentín G. Baonza, Mercedes Taravillo, Álvaro Lobato

Publikováno v: Advanced Science, Vol 11, Iss 25, Pp n/a-n/a (2024)

Abstract Previous studies on bimetallic paddlewheel compounds have established a direct correlation between metal–metal distance and ligand torsion angles, leading to the rule that higher torsion results in longer metal‐metal bond distances. Here

Externí odkaz: https://doaj.org/article/f51632ebdfca45b68cccae00fa3d1448

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Akademický článek

Computational Modeling of Tensile Stress Effects on the Structure and Stability of Prototypical Covalent and Layered Materials

Autor: Hocine Chorfi, Álvaro Lobato, Fahima Boudjada, Miguel A. Salvadó, Ruth Franco, Valentín G. Baonza, J. Manuel Recio

Publikováno v: Nanomaterials, Vol 9, Iss 10, p 1483 (2019)

Understanding the stability limit of crystalline materials under variable tensile stress conditions is of capital interest for technological applications. In this study, we present results from first-principles density functional theory calculations

Externí odkaz: https://doaj.org/article/cbdd8da4fd2b467984880ef6ff178abf

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Akademický článek

Linear, Non-Conjugated Cyclic and Conjugated Cyclic Paraphenylene under Pressure

Autor: Miriam Peña-Álvarez, Samuele Fanetti, Naomi Falsini, Giulia Novelli, Juan Casado, Valentín G. Baonza, Mercedes Taravillo, Simon Parsons, Roberto Bini, Margherita Citroni

Publikováno v: Molecules, Vol 24, Iss 19, p 3496 (2019)

The n-paraphenylene family comprises chains of phenylene units linked together by C-C bonds that are between single- and double-bonded, and where n corresponds to the number of phenylene units. In this work, we compare the response of the optical pro

Externí odkaz: https://doaj.org/article/a7a411bdaaec4e1ca8637a08c145a61a

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Dynamic Covalent Properties of a Novel Indolo[3,2‐ b ]carbazole Diradical

Autor: M. Carmen Ruiz Delgado, Rosie Nash, Yolanda Vida, Víctor Hernández Jolín, Valentín G. Baonza, Andrés Pérez Guardiola, Miriam Peña-Alvarez, Irene Badía-Domínguez, František Hartl, Sandra Rodríguez González, Deliang Wang, J.C. García, Juan T. López Navarrete, Hongxiang Li

Publikováno v: RUA. Repositorio Institucional de la Universidad de Alicante
Universidad de Alicante (UA)
Dominguez, I B, Pena Alvarez, M, Wang, D, Guardiola, A P, Vida, Y, Rodriguez Gonzalez, S, Lopez Navarrete, J T, Hernandez Jolin, V, Sancho Garcia, J C, Garcia Baonza, V, Nash, R, Hartl, F, Li, H & Ruiz Delgado, M C 2021, ' Dynamic Covalent Properties of a Novel Indolo[3,2-b]carbazole Diradical ', Chemistry-A European Journal, vol. 27, no. 17, pp. 5509-5520 . https://doi.org/10.1002/chem.202005211

This work describes the synthesis and properties of a dicyanomethylene‐substituted indolo[3,2‐b]carbazole diradical ICz‐CN. This quinoidal system dimerises almost completely to (ICz‐CN)2, which contains two long C(sp3)−C(sp3) σ‐bonds bet

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::624f465821a42e020c56dd8e7306a04a
https://doi.org/10.1002/chem.202005211

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New Raman–visible near‐infrared database of inorganic and mineralogical planetary and terrestrial compounds and its implications for Mars: Phyllosilicates

Autor: Valentín G. Baonza, Maite Maguregui, Kepa Castro, I. Torre-Fdez, Julene Aramendia, Silvia Fdez-Ortiz de Vallejuelo, Jesús Medina, Gorka Arana, P. Ruiz-Galende, Juan Manuel Madariaga, Leticia Gomez-Nubla, Fernando Rull

Publikováno v: Journal of Raman Spectroscopy. 51:1750-1760

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::14ef7836938b9bcb4d2075e2c3bc7835
https://doi.org/10.1002/jrs.5677

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Highs and Lows of Bond Lengths: Is There Any Limit?

Autor: J. Manuel Recio, Miguel A. Salvadó, Álvaro Lobato, Mercedes Taravillo, Valentín G. Baonza

Publikováno v: RUO. Repositorio Institucional de la Universidad de Oviedo
instname
E-Prints Complutense. Archivo Institucional de la UCM
Angewandte Chemie (International Ed. in English)

We argue that two distinct points on the potential energy curve (PEC) of a pairwise interaction, the zero‐energy crossing point and the point where the stretching force constant vanishes, allow to anticipate the range of possible distances one can

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0bf32883de1dd7aabd0ddde22a0eed04
https://eprints.ucm.es/id/eprint/70314/

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Raman spectroscopy coupled to principal component analysis for studying UO2 nuclear fuels with different grain sizes due to the chromia addition

Autor: Nieves Rodríguez-Villagra, A. Milena-Pérez, S. Fernández, Laura J. Bonales, Valentín G. Baonza, Joaquín Cobos

Publikováno v: Digital.CSIC. Repositorio Institucional del CSIC
instname
DIGITAL.INTA Repositorio Digital del Instituto Nacional de Técnica Aeroespacial
Universitat Pompeu Fabra
Journal of Nuclear Materials

Current necessities of nuclear power plants have led to increase burn-up of the fuel during operation. In this context, some undesirable processes, such as a higher release of gaseous fission products, may occur. New UO2-based fuels are being develop

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9a1edd5f291dd8e0a8f8a6c62c1166c6
http://hdl.handle.net/10261/250015

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Infrared spectroscopic study of the formation of fossil resin analogs with temperature using trans-communic acid as precursor

Autor: Álvaro Lobato, Valentín G. Baonza, Mercedes Taravillo, O. R. Montoro

Publikováno v: Microchemical Journal. 141:294-300

For million years resin exudates have undergone chemical alterations by heat, pressure, radiation, water, oxygen, microorganisms, and have suffered processes of sedimentation and diagenesis. These agents have affected the organic functional groups pr

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::7928730e137e8190ca9b77d64467d40f
https://doi.org/10.1016/j.microc.2018.05.035

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The self-absorption phenomenon in quantitative Raman spectroscopy and how to correct its effects

Autor: Álvaro Lobato, Mercedes Cáceres, Valentín G. Baonza, Laura J. Bonales, L.M. Uriarte, J. Dubessy

Publikováno v: Microchemical Journal. 139:134-138

When the wavelength of the Raman scattered light coincides with the absorption spectrum of the sample, a phenomenon known as Raman self-absorption occurs. If the absorption wavelength range matches completely with the Raman wavenumber range for a giv

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::c810d9ed4a8778a847d0473f0ca73c19
https://doi.org/10.1016/j.microc.2018.02.013

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