LUIS EMILIO ORGAZ BAQUE

Entidad: Facultad de Química, UNAM

Telefono: 23803

Email: emilio.orgaz@gmail.com

Url:

Departamento: --

Línea de trabajo y/o generación del conocimiento: Química Teórica y Computacional


Tesis Doctorado

TesisAlumno

Tesis Maestría

TesisAlumno
ESTRUCTURA ELECTRONICA Y PROPIEDADES MAGNETICAS DE HIDRUROS CON ENLACE DIRECCIONAL METAL-HIDROGENO. Promedio Final: 8.67 RODRIGO CASTAÑEDA RIVERA
JAIME ARTURO (2011-1) PEREZ RESENDIZ
Estudio de propiedades electrónicas, estructurales y magnéticas de agredados de manganeso, Mnn(n=2-5). ITZEL PEREZ TREJO
ESTUDIO TEORICO DE CUMULOS METALICOS MEDIANTE EL USO DE POTENCIALES SEMICLASICOS Y METODOS DE OPTIMIZACION GLOBAL. Promedio Final: 8.78 MARIO ERNESTO VAZQUEZ VILLAVICENCIO

Publicaciones:

  • Transition states, electronic structure, and magnetic properties of small-sized nickel clusters
    López-Estrada, Omar,Orgaz, Emilio
    Phys. Rev. B 2015, (91), 7, -
    doi: 10.1103/PhysRevB.91.075428
  • Hydrogen site occupation and electronic structure in the La 2 Ni 2 In intermetallic and hydrides
    Aburto, Andrea,Orgaz, Emilio
    Int. J. Quantum Chem. 2012, (112), 22, 3606 - 3611
    doi: 10.1002/qua.24243
  • Hydrogen-hydrogen interaction in the LaNiInH 4/3 hydride
    Orgaz, Emilio,Aburto, Andrea
    Int. J. Quantum Chem. 2012, (112), 21, 3490 - 3497
    doi: 10.1002/qua.24139
  • The first steps of the Li-B-H cluster formation
    Vázquez-Villavicencio, Mario,Aburto, Andrea,Orgaz, Emilio
    Int. J. Quantum Chem. 2011, (112), 5, 1507 - 1513
    doi: 10.1002/qua.23129
  • On the Ground State of Pd 13
    Köster, Andreas M.,Calaminici, Patrizia,Orgaz, Emilio,Roy, Debesh R.,Reveles, José Ulises,Khanna,
    J. Am. Chem. Soc. 2011, (133), 31, 12192 - 12196
    doi: 10.1021/ja203889r
  • Hydrogen occupancy in the R Ni 4 Mg ( R = Y , La, Ce, and Nd) intermetallic compounds and hydrides
    Hahn-Herrera, Otto,Aburto, Andrea,Orgaz, Emilio
    Phys. Rev. B 2009, (80), 16, -
    doi: 10.1103/PhysRevB.80.165118
  • Density functional investigation of silver, palladium and silver-palladium small sized cluster
    Carvajal, E., Hahn-Herrera, O., Orgaz, E.
    Revista Mexicana de Fisica 2008, (55), 6, 418 - 424
    doi:
  • Electronic Structure of Ternary Ruthenium-Based Hydrides
    Orgaz, Emilio,Aburto, Andrea
    J. Phys. Chem. C 2008, (112), 39, 15586 - 15594
    doi: 10.1021/jp8035605
  • Ab initio electronic structure of the eclipsed and staggered conformations of the κ − ( BEDT-TTF ) 2 Cu [ N ( CN ) 2 ] Br organic superconductor
    Aburto, Andrea,Orgaz, Emilio
    Phys. Rev. B 2008, (78), 11, -
    doi: 10.1103/PhysRevB.78.113104
  • Ab initio electronic structure of the eclipsed and staggered conformations of the κ − ( BEDT-TTF ) 2 Cu [ N ( CN ) 2 ] Br organic superconductor
    Aburto, Andrea,Orgaz, Emilio
    Phys. Rev. B 2008, (78), 11, -
    doi: 10.1103/PhysRevB.78.113104
  • Stability and electronic structure of Si, Ge, and Ti substituted single walled carbon nanotubes
    Galano, Annia,Orgaz, Emilio
    Phys. Rev. B 2008, (77), 4, -
    doi: 10.1103/PhysRevB.77.045111
  • Electronic structure of the complex alkali-transition-metal ternary hydrides A 2 T H 4 ( A = Na , K ; T = Pd , Pt )
    Orgaz, Emilio
    Phys. Rev. B 2007, (76), 15, -
    doi: 10.1103/PhysRevB.76.153105
  • Hydrogen Bridging Characterization in the Polynuclear La2MgNi2H8 Hydride
    Orgaz, E.
    J. Phys. Chem. C 2007, (111), 33, 12391 - 12396
    doi: 10.1021/jp0747611
  • Ab initio structural and electronic investigation of magnetic R Ni Sn ( R = La , Ce , Pr , Nd ) intermetallics and their hydrides
    Aburto, Andrea,Orgaz, Emilio
    Phys. Rev. B 2007, (75), 4, -
    doi: 10.1103/PhysRevB.75.045130
  • Ab initio structural and electronic investigation of magnetic R Ni Sn ( R = La , Ce , Pr , Nd ) intermetallics and their hydrides
    Aburto, Andrea,Orgaz, Emilio
    Phys. Rev. B 2007, (75), 4, -
    doi: 10.1103/PhysRevB.75.045130
  • Hydrogen bonding in the LaNi[sub 3]BH[sub 3] hydride
    Orgaz, Emilio,Aburto, Andrea
    The Journal of Chemical Physics 2006, (125), 14, 144708 -
    doi: 10.1063/1.2354084
  • Hydrogen bonding in the LaNi[sub 3]BH[sub 3] hydride
    Orgaz, Emilio,Aburto, Andrea
    The Journal of Chemical Physics 2006, (125), 14, 144708 -
    doi: 10.1063/1.2354084
  • Electronic structure of ternary hydrides based on light elements
    Orgaz, E.,Membrillo, A.,Castañeda, R.,Aburto, A.
    Journal of Alloys and Compounds 2005, (404-406), , 176 - 180
    doi: 10.1016/j.jallcom.2004.11.111
  • Bonding properties of the new zintl-phase hydrides
    Orgaz, Emilio,Aburto, Andrea
    Int. J. Quantum Chem. 2005, (101), 6, 783 - 792
    doi: 10.1002/qua.20338

Patentes: