Zobrazeno 1 - 10
of 34
pro vyhledávání: '"J. Manuel Recio"'
Autor:
Ewa Patyk-Kaźmierczak, Fernando Izquierdo-Ruiz, Alvaro Lobato, Michał Kaźmierczak, Ida Moszczyńska, Anna Olejniczak, J. Manuel Recio
Publikováno v:
IUCrJ, Vol 11, Iss 2, Pp 168-181 (2024)
In the search for new active pharmaceutical ingredients, the precise control of the chemistry of cocrystals becomes essential. One crucial step within this chemistry is proton migration between cocrystal coformers to form a salt, usually anticipated
Externí odkaz:
https://doaj.org/article/053e9b5030924862b4bb283aae8c037f
Autor:
Houssem Lakehal, Hocine Chorfi, Bachir Zouchoune, Álvaro Lobato, Ruth Franco, Pilar Pertierra, Miguel Á. Salvadó, J. Manuel Recio
Publikováno v:
Results in Physics, Vol 60, Iss , Pp 107659- (2024)
The energy-volume curve of a crystalline solid is critically examined in terms of the mechanical contributions of its constituent atoms. In addition to the usual analysis in the positive compression regime, our computational approach covers the tensi
Externí odkaz:
https://doaj.org/article/936c12a61f03420d89737b5c984b0de3
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
Autor:
Eduardo O. Gomes, Amanda F. Gouveia, Lourdes Gracia, Álvaro Lobato, J. Manuel Recio, Juan Andrés
Publikováno v:
Scopus
E-Prints Complutense. Archivo Institucional de la UCM
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E-Prints Complutense. Archivo Institucional de la UCM
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The chemical pressure approach offers a new paradigm for property control in functional materials. In this work, we disclose a correlation between the β → α pressureinduced phase transition in SnMoO4 and the substitution process of Mo6+ by W6+ in
Autor:
Artem A. Babaryk, Ievgen V. Odynets, Álvaro Lobato, Alaa Adawy, J. Manuel Recio, Santiago Garcia-Granda
Publikováno v:
The Journal of Physical Chemistry C. 126:8047-8055
Complex vanadates of tantalum(V), such as ATa2V2O11 (A = Sr, Pb), are rare and underrated materials, which have potential application domains that could be substantially expanded, mitigating the existing controversy on their atomic and electronic org
Publikováno v:
Comprehensive Inorganic Chemistry III ISBN: 9780128231531
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3608af8bba564a7da6220470f1266c98
https://doi.org/10.1016/b978-0-12-823144-9.00097-2
https://doi.org/10.1016/b978-0-12-823144-9.00097-2
Publikováno v:
Scopus
A better understanding of the effects of temperature and pressure on the wide gap SiC semiconductor is necessary for both (i) an improvement of the performance of this compound in a variety of technological applications and (ii) a clarification of co
Publikováno v:
Physical chemistry chemical physics : PCCP. 24(47)
To advance in the understanding of the Earth's carbon cycle, it is necessary to determine thermodynamic boundaries and kinetic barriers associated with the pressure-induced polymorphic sequence of alkaline-earth carbonates. Following a symmetry-based
Autor:
Matteo, Ceppatelli, Demetrio, Scelta, Manuel, Serrano-Ruiz, Kamil, Dziubek, Fernando, Izquierdo-Ruiz, J Manuel, Recio, Gaston, Garbarino, Volodymyr, Svitlyk, Mohamed, Mezouar, Maurizio, Peruzzini, Roberto, Bini
Publikováno v:
Inorganic chemistry. 61(31)
The direct chemical reactivity between phosphorus and nitrogen was induced under high-pressure and high-temperature conditions (9.1 GPa and 2000-2500 K), generated by a laser-heated diamond anvil cell and studied by synchrotron X-ray diffraction, Ram
Publikováno v:
Scopus
The quest for structure-property relationships in scheelite-type (RE)CrO4 compounds (where RE is a rare earth element) is a difficult task due to the number of exceptions found in RE empirical trends and the uncommon Cr(V) oxidation state. In this wo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::286e3d1abf2175d23a582a6a910ee5db
http://hdl.handle.net/10651/66746
http://hdl.handle.net/10651/66746