Zobrazeno 1 - 9
of 9
pro vyhledávání: '"Maria Pilar de Lara-Castells"'
Autor:
María Pilar de Lara‐Castells
Publikováno v:
Small Structures, Vol 5, Iss 10, Pp n/a-n/a (2024)
Current advances in synthesizing and characterizing atomically precise monodisperse metal clusters (AMCs) at the subnanometer scale have opened up new possibilities in quantum materials research. Their quantizied “molecule‐like” electronic stru
Externí odkaz:
https://doaj.org/article/df49e39951e045749b9733b89060357f
Autor:
David Buceta, Shahana Huseyinova, Miguel Cuerva, Héctor Lozano, Lisandro J. Giovanetti, José M. Ramallo-López, Patricia López-Caballero, Alexandre Zanchet, Alexander O. Mitrushchenkov, Andreas W. Hauser, Giampaolo Barone, Cristián Huck-Iriart, Carlos Escudero, Juan Carlos Hernández-Garrido, José Calvino, Miguel Lopez-Haro, Maria Pilar de Lara-Castells, Felix G. Requejo, M. Arturo López-Quintela
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
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21 pags., 5 figs.
Subnanometer-sized metal clusters often feature a molecule-like electronic structure, which makes their physical and chemical properties significantly different from those of nanoparticles and bulk material. Considering potenti
Subnanometer-sized metal clusters often feature a molecule-like electronic structure, which makes their physical and chemical properties significantly different from those of nanoparticles and bulk material. Considering potenti
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7bcc95ff97dde1f81d40c90eb1dc86c2
https://doi.org/10.26434/chemrxiv.13661081
https://doi.org/10.26434/chemrxiv.13661081
Autor:
Maria Pilar de Lara Castells, Frédéric Le Quéré, Pavel Rosmus, Cristina Puzzarini, Céline Léonard
Publikováno v:
Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2000, 2 (6), pp.1117--1122. ⟨10.1039/a908993d⟩
Digital.CSIC. Repositorio Institucional del CSIC
instname
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2000, 2 (6), pp.1117--1122. ⟨10.1039/a908993d⟩
Digital.CSIC. Repositorio Institucional del CSIC
instname
Using ab initio calculated potential energy and electric dipole moment functions for the X(2)Pi states of OF, OCl, OBr and OI, two models have been tested to selectively populate their vibrational modes by ultrashort coherent light pulses. For a give
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c68a98e62d5d7597831b08fc2c77703d
https://doi.org/10.1039/a908993d
https://doi.org/10.1039/a908993d
Publikováno v:
ACS Omega, Vol 6, Iss 24, Pp 16165-16175 (2021)
Externí odkaz:
https://doaj.org/article/9db56831e2a044f7aacf805af2c1a4d5
Autor:
DAVID LOPEZ DURAN, MARIA PILAR DE LARA CASTELLS, GERARDO DELGADO BARRIO, CONO DI PAOLA, Gianturco, Francesco Antonio, Julius, Jellinek, Pablo, Villarreal
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od______3686::3ce251ef3d4e7c614c6f4d5a48ca7782
http://hdl.handle.net/11573/10035
http://hdl.handle.net/11573/10035
Publikováno v:
Frontiers in Chemistry, Vol 9 (2021)
We overview our recent developments on a computational approach addressing quantum confinement of light atomic and molecular clusters (made of atomic helium and molecular hydrogen) in carbon nanotubes. We outline a multi-scale first-principles approa
Externí odkaz:
https://doaj.org/article/d984baf7a9824d33a80a5aeed742e62b
Autor:
Frédéric Le Quéré, Maria Pilar de Lara Castells, Alexander O. Mitrushenkov, Paolo Palmieri, Céline Léonard, Pavel Rosmus
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
instname
Molecular Physics
Molecular Physics, Taylor & Francis, 2000, 98 (21), pp.1713--1727
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Molecular Physics
Molecular Physics, Taylor & Francis, 2000, 98 (21), pp.1713--1727
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The state specific predissociation of OH/OD in its lowest electronically excited state (A (2)Sigma (+), nu', N', F-1/F-2) is investigated by time dependent wave packet propagation techniques. To improve the accuracy of the potential energy curves, sp
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ecb46b8d14dac934f6a31449c91d7e59
http://hdl.handle.net/10261/98908
http://hdl.handle.net/10261/98908
Publikováno v:
Molecules, Vol 26, Iss 19, p 5783 (2021)
We present path integral molecular dynamics (PIMD) calculations of an electron transfer from a heliophobic Cs2 dimer in its (3Σu) state, located on the surface of a He droplet, to a heliophilic, fully immersed C60 molecule. Supported by electron ion
Externí odkaz:
https://doaj.org/article/c0ea6d9f9b1445cf9f4ec1e87326c50d
Autor:
Cono Di Paola, Franco A. Gianturco, David Lpez-Durn, Maria Pilar de Lara-Castells, Gerardo Delgado-Barrio, Pablo Villarreal, Julius Jellinek
Publikováno v:
ChemPhysChem; Jul2005, Vol. 6 Issue 7, p1348-1356, 9p