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pro vyhledávání: '"G Rojas-Lorenzo"'
Akademický článek
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Publikováno v:
Mathematics, Vol 9, Iss 4, p 362 (2021)
Stochastic wave function formalism is briefly introduced and applied to study the dynamics of open quantum systems; in particular, the diffusion of Xe atoms adsorbed on a Pt(111) surface. By starting from a Lindblad functional and within the microsco
Externí odkaz:
https://doaj.org/article/c6816647f8c74251b21e5c1f955acced
Autor:
E. E. Torres-Miyares, D. J. Ward, G. Rojas-Lorenzo, J. Rubayo-Soneira, W. Allison, S. Miret-Artés
The stochastic wave function method is proposed to study the diffusion regimes of alkali atoms on metallic surfaces. The Lindblad approach, based on the microscopic Hamiltonian information in the Caldeira-Leggett model, is presented and numerical cal
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6b88592d58957453371329cecde8ca35
Akademický článek
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Publikováno v:
CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
A molecular dynamics deposition model has been used to simulate the growth of rare gas matrices doped with atoms of the group 12 elements zinc, cadmium and mercury. This study investigates the sites occupied by Zn, Cd and Hg metal atoms when isolated
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b2a08895e34ba76632bb188e553cc079
https://doi.org/10.1063/1.5111289
https://doi.org/10.1063/1.5111289
Theoretical study of 'trapping sites' in cryogenic rare gas solids doped with β-dicarbonyl molecules
Autor:
Alejandro Gutiérrez-Quintanilla, M. Lara-Moreno, G. Rojas-Lorenzo, Claudine Crépin, Michèle Chevalier
Publikováno v:
Low Temperature Physics
Low Temperature Physics, American Institute of Physics, 2019, 45 (3), pp.317. ⟨10.1063/1.5090089⟩
Low Temperature Physics, American Institute of Physics, 2019, 45 (3), pp.317. ⟨10.1063/1.5090089⟩
A deposition model to simulate the growth of doped rare gas crystals is used. The study involves organic molecules with a single intramolecular hydrogen bond such as malonaldehyde, 2chloromalonaldehyde and acetylacetone as impurities. Different trapp
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6ed703e0d343c6b8c649e1bc6162beb7
https://doi.org/10.1063/1.5090089
https://doi.org/10.1063/1.5090089
Publikováno v:
Mathematics
Volume 9
Issue 4
Digital.CSIC. Repositorio Institucional del CSIC
instname
Mathematics, Vol 9, Iss 362, p 362 (2021)
Volume 9
Issue 4
Digital.CSIC. Repositorio Institucional del CSIC
instname
Mathematics, Vol 9, Iss 362, p 362 (2021)
15 pags., 4 figs. -- This article belongs to the Special Issue On Interdisciplinary Modelling and Numerical Simulation in the Realm of Physics & Engineering
Stochastic wave function formalism is briefly introduced and applied to study the dynami
Stochastic wave function formalism is briefly introduced and applied to study the dynami
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d09df96131bd0a90b8fade32d885e651
Autor:
Sebastian Fernandez-Alberti, Sergei Tretiak, G Rojas-Lorenzo, Beatriz Rodriguez-Hernandez, Hassiel Negrin-Yuvero, Adolfo Bastida, Victor M. Freixas
Publikováno v:
Journal of chemical theory and computation. 16(12)
Ab initio molecular dynamics (AIMD) simulation, analyzed in terms of vibrational normal modes, is a widely used technique that facilitates understanding of complex structural motions and coupling between electronic and nuclear degrees of freedom. Usu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f6cc14427c4c3cc19a7e1576c9abd174
https://pubmed.ncbi.nlm.nih.gov/33201709
https://pubmed.ncbi.nlm.nih.gov/33201709
Autor:
Claudine Crépin, Justinas Ceponkus, Rasa Platakyte, Michèle Chevalier, Alejandro Gutiérrez-Quintanilla, G. Rojas-Lorenzo
Publikováno v:
Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2018, 20 (18), pp.12888-12897. ⟨10.1039/C7CP06481K⟩
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2018, 20 (18), pp.12888-12897. ⟨10.1039/C7CP06481K⟩
International audience; The chelated enol isomer of 2-chloromalonaldehyde (2-ClMA) is experimentally characterized for the first time by IR and Raman spectroscopies. The spectra are obtained by trapping the molecule in cryogenic matrices and analyzed
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ba40c9381eb8bdf23070a76831882a5e
https://doi.org/10.1039/c7cp06481k
https://doi.org/10.1039/c7cp06481k
Publikováno v:
The European Physical Journal D. 73
The rapidly emerging field of atomic cluster collisions attracts strong research interest of many experimental and theoretical groups worldwide. Being a highly interdisciplinary field, it has numerous links with atomic, molecular and optical physics,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9ac955a72138c9fa773f2b6843f418de
https://doi.org/10.1140/epjd/e2019-100262-9
https://doi.org/10.1140/epjd/e2019-100262-9