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Query: PHYSICAL PROPERTIES Repository: 57 Year: 2018 Document Type: Artículo Language: Inglés

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Title: Theoretical study of structural stability, elastic, electronic and thermodynamic properties of ScxGa1−x P compounds by ab initio calculations
Author: Celin Mancera, William Enrique / López Pérez, William / González García, Alvaro / Ramírez Montes, Luz / González Hernández, Rafael J.
Language: Inglés
Repository: 57
Subject: DFT / Electronic structure / GaP / Structural and elastic stability / Thermodynamic properties

Acceder
Title: Effects of scandium composition on the structural, electronic, and thermodynamic properties of SCxY1-x metallic alloys
Author: López Pérez, William / Castro Diago, P. / Ramirez Montes, Luz Mery / González García, Alvaro / González Hernández, Rafael J.
Language: Inglés
Repository: 57
Subject: Density functional calculations / electronic structure / metallic alloys / thermodynamic properties

Acceder
Title: Theoretical prediction of the electronic and thermodynamic properties of YN-ZrN solid solutions
Author: Ramirez Montes, Luz Mery / López Pérez, William / González García, Alvaro / González Hernández, Rafael J.
Language: Inglés
Repository: 57
Subject: density functional calculations / electronic properties / solid solutions / structural properties / thermodynamic properties

Acceder
Title: Electronic Q12 Structure Aspects Of The Complete O2 Transfer Reaction Between Ni(II) And Mn(II) Complexes With Cyclam Ligands / Physical Chemistry Chemical Physics
Author: Zapata Rivera, Jhon Enrique / Caballol, Rosa / Calzado, Carmen J.
Language: Inglés
Repository: 57
Subject: Ni(II) and Mn(II) / Electronic structure / CASSCF and DDCI / Estructura electronica

Acceder
Title: On The Isostructural And Superprotonic Cs5H3(SO4)4·Xh2o Transformations: Physical Or Chemical Nature?
Author: Ortiz Muñoz, E / Mendoza Estrada, Victor Julio / Romero, J
Language: Inglés
Repository: 57
Subject: Cs5H3(SO4)4·xH2O / Isostructural Phase Transition / Superionic Conductor / Superprotonic Phase Transition / Thermal Surface Decomposition

Acceder
Title: Structural, mechanical and electronic properties of two-dimensional structure of III-arsenide (1 1 1) binary compounds: An ab-initio study
Author: González García, Alvaro / López Pérez, William / Rivera Julio, Jagger / Peteers, F. M. / Mendoza Estrada, Victor Julio / González Hernández, Rafael J.
Language: Inglés
Repository: 57
Subject: Arsenide / Density functional theory / Mechanical properties / Two-dimensional single and few-layer hexagonal structures

Acceder

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