Search Results - "Orgaz, Emilio"

Electronic Structure of Ternary Ruthenium-Based Hydrides by Orgaz, Emilio, Aburto, Andrea

“…We have investigated the electronic structure and bonding characteristics of a series of ternary hydrides composed of transition metals (iron, ruthenium,…”
Get full text

Crystallization Kinetics of Hypo, Hyper and Eutectic Ni–Nb Glassy Alloys by Mendoza, Laura Esmeralda, Hernández, José Manuel, González, José Gonzalo, Orgaz, Emilio, Lozada, Octavio, Figueroa, Ignacio Alejandro

“…This study presents the thermal and kinetic behavior of Ni58.5Nb41.5, Ni59.5Nb40.5, and Ni60.5Nb39.5 binary glassy alloys. The alloys ingots were obtained…”
Get full text

Algebraic DVR Approaches Applied to Describe the Stark Effect by Bermúdez-Montaña, Marisol, Rodríguez-Arcos, Marisol, Lemus, Renato, Arias, José M., Gómez-Camacho, Joaquín, Orgaz, Emilio

“…Two algebraic approaches based on a discrete variable representation are introduced and applied to describe the Stark effect in the non-relativistic Hydrogen…”
Get full text

The electronic structure of the Laves phase intermetallics LnM2 (Ln=y, La-Lu, M=Mg, Al) and the LaMg2H7 and CeMg2H7 hydrides by ORGAZ, Emilio

Get full text

Structural stability of binary Pd34-nMn (M=Cu, Ag, Au) clusters by Fundora-Galano, Gabriela, Orgaz, Emilio

“…We have investigated the structural properties, stability and magnetic properties of the Pd 34 - n M n ( M = Cu , Ag and Au) clusters series. The basin hopping…”
Get full text

Structural stability of binary $$\hbox {Pd}_{34-n}\hbox {M}_{n}$$ Pd 34 - n M n ( $$\hbox {M}=\hbox {Cu}$$ M = Cu , Ag, Au) clusters by Fundora-Galano, Gabriela, Orgaz, Emilio

Get full text

Structural stability of binary Pd 34 - n M n ( M = Cu , Ag, Au) clusters by Fundora-Galano, Gabriela, Orgaz, Emilio

“…We have investigated the structural properties, stability and magnetic properties of the Pd34-nMn (M=Cu, Ag and Au) clusters series. The basin hopping Monte…”
Get full text

Investigation of the Spin Competition in the Al 6 Cluster by Huidobro-Meezs, Isaac L., Orgaz, Emilio

Get full text

Structural and optical properties of Ni atoms and $$\hbox {Ni}_{55}$$ Ni 55 cluster adsorbed on a rutile $$\hbox {TiO}_{2}$$ TiO 2 (110) surface by Castillo-Robles, José M., Orgaz, Emilio

Get full text

Structural and optical properties of Ni atoms and Ni55 cluster adsorbed on a rutile TiO2 (110) surface by Castillo-Robles, José M., Orgaz, Emilio

“…Adsorbed Ni in a clean rutile TiO 2 (110) surface has been investigated by computing the electronic band structure and the optical linear response properties…”
Get full text

Effect of Tunneling-Assisted Intersystem Crossing on the Magnetic Behavior of the Pt 13 Cluster by Huidobro-Meezs, Isaac L., Castillo-Robles, José M., Orgaz, Emilio

Get full text

Investigation of the Spin Competition in the Al6 Cluster by Huidobro-Meezs, Isaac L, Orgaz, Emilio

“…Small-sized aluminum clusters exhibit a possible spin competition at finite temperatures. For this reason, it is difficult to perform standard electronic…”
Get full text

Hydrogen Bridging Characterization in the Polynuclear La2MgNi2H8 Hydride by Orgaz, Emilio

“…We investigated the chemical bonding properties of hydrogen bridging in extended polynuclear hydride La2MgNi2H8. We applied a mixed molecular and solid-state…”
Get full text

Hydrogen-hydrogen interaction in the LaNiInH4/3 hydride by Orgaz, Emilio, Aburto, Andrea

“…We have investigated the electronic structure of LaNiIn intermetallic compound and the derived LaNiInH4/3 hydride. All‐electron electronic structure…”
Get full text

Hydrogen–hydrogen interaction in the LaNiInH 4/3 hydride by Orgaz, Emilio, Aburto, Andrea

“…We have investigated the electronic structure of LaNiIn intermetallic compound and the derived LaNiInH 4/3 hydride. All‐electron electronic structure…”
Get full text

Structural and optical properties of Ni atoms and Ni 55 cluster adsorbed on a rutile TiO 2 (110) surface by Castillo-Robles, José M, Orgaz, Emilio

“…Adsorbed Ni in a clean rutile TiO2 (110) surface has been investigated by computing the electronic band structure and the optical linear response properties…”
Get full text

Unexpected High Spin Polarization in Cr 4 Cluster by López-Estrada, Omar, López-Olay, Sarai, Aburto, Andrea, Orgaz, Emilio

Get full text

Hydrogen site occupation and electronic structure in the La 2 Ni 2 In intermetallic and hydrides by Aburto, Andrea, Orgaz, Emilio

“…By means of electronic structure computation methods based on density functional theory, we investigated some properties of the intermetallic compounds R 2 Ni…”
Get full text

Hydrogen site occupation and electronic structure in the La2Ni2In intermetallic and hydrides by Aburto, Andrea, Orgaz, Emilio

“…By means of electronic structure computation methods based on density functional theory, we investigated some properties of the intermetallic compounds R2Ni2In…”
Get full text

Effect of Tunneling-Assisted Intersystem Crossing on the Magnetic Behavior of the Pt13 Cluster by Huidobro-Meezs, Isaac L, Castillo-Robles, José M, Orgaz, Emilio

“…We show the existence of a dynamic spin equilibrium introduced by intersystem crossing (ISC) between several spin multiplicity states in the Pt13 cluster…”
Get full text