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Subject: Física Subject: Química Document Type: Artículo Language: Inglés

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Title: On the symmetry of three identical interacting particles in a one-dimensional box
Author: Amore, Paolo / Fernández, Francisco Marcelo
Language: Inglés
Repository: 37
Subject: Química / Ciencias Naturales / Ciencias Exactas / Física / Box trap / Identical particles / Perturbation theory / Point-group symmetry / Variational method

Acceder
Title: Small-energy series for one-dimensional quantum-mechanical models with non-symmetric potentials
Author: Amore, Paolo / Fernández, Francisco Marcelo
Language: Inglés
Repository: 37
Subject: Física / Química / Ciencias Exactas / Anharmonic oscillator / Convergence / Finite wells / One-dimensional schrödinger equation / Small-energy series

Acceder
Title: Experimental and theoretical investigation of the electronic structure of Cu2O and CuO thin films on Cu(110) using x-ray photoelectron and absorption spectroscopy
Author: Jiang, Peng / Prendergast, David / Borondics, Ferenc / Porsgaard, Soeren / Giovanetti, Lisandro José / Pach, Elzbieta / Newberg, John / Bluhm, Hendrik / Besenbacher, Flemming / Salmeron, Miquel
Language: Inglés
Repository: 37
Subject: Física / Química / Ab initio calculations / Density functional theory / Copper compounds / Electronic structure / Oxidation / Stoichiometry / Thin films / X-ray absorption spectra / X-ray photoelectron spectra

Acceder
Title: Theoretical modelling of chiral modifier/substrate interaction for Enantioselective Hydrogenation of p-Isobutylacetophenone
Author: Recupero, Francisco / Casella, Mónica Laura / Ruggera, José Fernando
Language: Inglés
Repository: 37
Subject: Física / Química / Ciencias Exactas / Modelado molecular / Dft / Enantioselectividad / Hidrogenación

Acceder
Title: Electrocatalysis: Fundamentals and Applications
Author: Zinola, Carlos F. / Martins, María Elisa / Pastor Tejera, E. / Pimenta Neves, Newton
Language: Inglés
Repository: 37
Subject: Física / Ciencias Exactas / Química / Electrocatalysis / Platinum-type metals / Fuel cells / Surface science

Acceder
Title: Direct variational determination of the two-electron reduced density matrix for doubly occupied-configuration-interaction wave functions: The influence of three-index N-representability conditions
Author: Alcoba, Diego Ricardo / Torre, Alicia / Lain, Luis / Massaccesi, Gustavo Ernesto / Oña, Ofelia Beatriz / Honoré, Eduardo Misael / Poelmans, Ward / Van Neck, Dimitri / Bultinck, Patrick / De Baerdemacker, Stijn
Language: Inglés
Repository: 37
Subject: Ciencias Exactas / Física / Química / density-matrix / Variational methods / configuration interaction / DOCI

AccederAcceder
Title: Reversible S-S Bond Breaking and Formation in Disulfide-containing Dinuclear Complexes of Mn^I
Author: Ruiz, Javier / Ceroni, Mario / Quinzani, Oscar Valentín / Riera, Víctor / Piro, Oscar Enrique
Language: Inglés
Repository: 37
Subject: Ciencias Exactas / Física / Química / manganese / phosphanes / sulfur / ylides

AccederAcceder
Title: Supramolecular self-assembly of a new multi-conformational Schiff base through hydrogen bonds: Crystal structure, spectroscopic and theoretical investigation
Author: Rocha, Mariana / Di Santo, A. / Echeverría, Gustavo Alberto / Piro, Oscar Enrique / Cukiernik, F. D. / Ulic, Sonia Elizabeth / Gil, Diego M.
Language: Inglés
Repository: 37
Subject: Ciencias Exactas / Química / Física / Schiff bases / crystal structure / quantum chemical calculations / IR and Raman spectroscopy / Hirshfeld surface analysis / mesomorphic properties

Acceder
Title: Inorganically coated colloidal quantum dots in polar solvents using a microemulsion-assisted method
Author: Acebrón, María / Herrera, Facundo Carlos / Mizrahi, Martín D. / Navío, Cristina / Gavito, Ramón Bernardo / Granados, Daniel / Requejo, Félix Gregorio / Juarez, Beatriz H.
Language: Inglés
Repository: 37
Subject: Ciencias Exactas / Física / Química / colloidal nanocrystals / core–shell NCs

Acceder
Title: A substituted sulfonamide and its Co (II), Cu (II), and Zn (II) complexes as potential antifungal agents
Author: Díaz, Jorge R. A. / Fernández Baldo, Martín Alejandro / Echeverría, Gustavo Alberto / Baldoni, Héctor Armando / Vullo, Daniela / Soria, Delia Beatriz / Supuran, Claudiu T. / Camí, Gerardo Enrique
Language: Inglés
Repository: 37
Subject: Ciencias Exactas / Física / Química / antifungal / carbonic anhydrase / metal complex / sulfonamide / thermal stability

Acceder

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