Zobrazeno 1 - 10 of 15 pro vyhledávání: '"Alemany i Cahner, Pere"'
1
New insights about the structural properties of κ-(BEDT-TTF)2X2(CN)3 (X=Cu and Ag) Spin Liquids
Autor: Foury-Leylekian, Pascale, Ilakovac, Vita, Fertey, Pierre, Balédent, Victor, Milat, Ognjen, Miyagawa, Kazuya, Kanoda, Kazushi, Hiramatsu, Takaaki, Yoshida, Yukihiro, Saito, Gunzi, Alemany i Cahner, Pere, Canadell, Enric, 1950, Tomic, Silvia, Pouget, Jean-Paul
Publikováno v: Dipòsit Digital de la UB
Universidad de Barcelona
Here, the first accurate study is presented of the room-temperature and 100 K structures of one of the first organic spin liquids, 􏰗-(BEDT-TTF)2Ag2(CN)3. It is shown that the monoclinic structure determined previously is only the average one. It i
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::53208fd5cf8afad2021e525b1df98ba3
http://hdl.handle.net/2445/180318
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2
First-principles analysis of the charge transfer in the NMP-TCNQ molecular metal and (NMP)x(Phen)1-xTCNQ solid solutions
Autor: Alemany i Cahner, Pere, Canadell, Enric, 1950, Pouget, Jean-Paul
Publikováno v: Dipòsit Digital de la UB
Universidad de Barcelona
A first-principles DFT study of the electronic structure of the two-chain molecular conductor NMP-TCNQ is reported. It is shown that the charge transfer occurring in this salt is not 1 but 2/3, finally settling the debate concerning the real charge t
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::57e1235cba7a419a54f7a4524e1320c1
http://hdl.handle.net/2445/184466
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5
Theoretical study of bonding and electrical properties of Ca0.95Nb3O6
Autor: Zhukov, V. P., Pereliaev, V. A., Zubkov, V. G., Alemany i Cahner, Pere, Kontsevaya, I., Álvarez, Santiago, Tyutyunnik, A.
Publikováno v: Butlletí de les Societats Catalanes de Física, Química, Matemàtiques i Tecnologia; 1992: 13 : núm. 1 : Structure and physical properties of crystals: proceedings of the II Seminar organized jointly by the Ins; p. 251-257
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od_______613::1c819c7a9dc33eaf3b61bd18745cac6f
http://www.raco.cat/index.php/ButlletiSCFQMT/article/view/221743
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6
Química Quàntica
Autor: Paniagua, Juan Carlos, Alemany i Cahner, Pere
Publikováno v: Recercat. Dipósit de la Recerca de Catalunya
instname
Dipòsit Digital de la UB
Universidad de Barcelona
Introducció a la mecànica quàntica i aplicació d'aquesta a l'estudi de l'estructura molecular i l'espectroscòpia. L'exposició té un enfocament pedagògic i fa especial èmfasi en la interpretació física de la teoria sense defugir la discussi
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::b187219799eb5178838bdf4db712f14d
http://hdl.handle.net/2445/115578
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7
Theoretical approach to the magnetostructural correlations in spin-Peierls compound CuGeO3
Autor: Ruiz Sabín, Eliseo, Cano Boquera, Joan, Álvarez, Santiago (Álvarez Reverter), Alemany i Cahner, Pere, Verdaguer, Michel
Publikováno v: Recercat. Dipósit de la Recerca de Catalunya
instname
Dipòsit Digital de la UB
Universidad de Barcelona
A theoretical density-functional study has been carried out to analyze the exchange coupling in the chains of CuGeO3 using discrete models. The results show a good agreement with the experimental exchange coupling constant (J) together with a strong
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::4cfcd73c4cbdaddd24b3db7da47d7a7a
http://hdl.handle.net/2445/10847
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8
Molecular-based Magnetoresistance Devices at Room Temperature
Autor: Martín Rodríguez, Alejandro
Publikováno v: TDX (Tesis Doctorals en Xarxa)
TDR. Tesis Doctorales en Red
Consejo Superior de Investigaciones Científicas (CSIC)
Dipòsit Digital de la UB
Universidad de Barcelona
[eng] In this doctoral thesis a series of computational and experimental studies of molecular magnetoresistance devices at room temperature is presented. This sort of devices is included in the molecular electronics framework with the objective of st
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::14094e2ab62f97984e96e5e8c083f6e5
http://hdl.handle.net/10803/672545
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9
Crystal Packing of Long-chain Aliphatic Molecules: A Continuous Symmetry Measures Approach
Autor: Sánchez Muñoz, Laura
Publikováno v: Dipòsit Digital de la UB
Universidad de Barcelona
Treballs Finals de Grau de Química, Facultat de Química, Universitat de Barcelona, Any: 2021, Tutor:Pere Alemany Cahner
Bulk crystals of normal Alkanes n-CnH2n+2 and Langmuir monolayers of alkane derivates show similar phase diagrams, includin
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::462535f6c70cd900d95f7ee0dc32d77d
http://hdl.handle.net/2445/175438
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10
Conjugated organic radicals and polyradicals: electronic structure and photophysics
Autor: Sandoval-Salinas, María Eugenia
Publikováno v: Dipòsit Digital de la UB
Universidad de Barcelona
TDX (Tesis Doctorals en Xarxa)
TDR: Tesis Doctorales en Red
CBUC, CESCA
TDR. Tesis Doctorales en Red
instname
[eng] The principal aim of this thesis is the understanding of the electronic structure of organic diradical and polyradical molecules. Unveiling the properties that give them the electronic, magnetic, and optical properties to be applied as main com
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::95beaf1407076becf353552aa55ecdd9
http://hdl.handle.net/2445/174534
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