RUBEN SANTAMARIA ORTIZ

Entidad: Instituto de Física, UNAM

Telefono: 56225145

Email: rso@fisica.unam.mx

Url:

Departamento: --

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


Tesis Doctorado

TesisAlumno
ESTUDIO TEÓRICO DE LA INTERACCIÓN DEL 1-BUTENO CON LA MALLA MOLECULAR SAPO.11 SERGIO MELENDEZ MERCADO

Tesis Maestría

TesisAlumno
DANIEL ALEJANDRO BONILLA MORENO
ESTUDIO DEL PLAGAMIENTO DE PROTEINAS DE CADENA CORTA, MEDIANTE EL USO DE MODELOS CLASICOS DE DM/MM Y UNA INNOVADORA METODOLOGIA DE DINAMICA MOLECULAR QUE PARTE DE CALCULOS DE PRIMEROS PRINCIPICIOS TANIA GONZALEZ GARCIA

Publicaciones:

  • The interaction of sodium sulfite with the DNA nucleic acid bases: A first-principles molecular dynamics study
    Martínez-Zapata, D.,Rosas-Acevedo, H.,Santamaria, R.
    Computational and Theoretical Chemistry 2017, (1099), , 116 - 122
    doi: 10.1016/j.comptc.2016.11.021
  • Statistical Contact Model for Confined Molecules
    Santamaria, Ruben,de la Paz, Antonio Alvarez,Roskop, Luke,Adamowicz, Ludwik
    Journal of Statistical Physics 2016, (164), 4, 1000 - 1025
    doi: 10.1007/s10955-016-1569-x
  • Polymer folding via external potentials in ab-initio calculations
    Santamaria, Ruben,Jones, Keith,Arroyo, Maricela,González-García, Tania
    Computational and Theoretical Chemistry 2015, (1068), , 72 - 80
    doi: 10.1016/j.comptc.2015.06.012
  • Microscopic pressure-cooker model for studying molecules in confinement
    Santamaria, Ruben,Adamowicz, Ludwik,Rosas-Acevedo, Hortensia
    Molecular Physics 2015, (113), 7, 671 - 682
    doi: 10.1080/00268976.2014.968649
  • Evolution of the vibrational spectra of doped hydrogen clusters with pressure
    Santamaria, Ruben,Soullard, Jacques,Bokhimi, Xim,Martínez-Alanis, Paulina R.
    The Journal of Chemical Physics 2014, (140), 19, 194301 -
    doi: 10.1063/1.4875348
  • Pressure-Induced Metallization of Li + -Doped Hydrogen Clusters
    Santamaria, Ruben,Bokhimi, Xim,Soullard, Jacques,Jellinek, Julius
    J. Phys. Chem. A 2013, (117), 27, 5642 - 5649
    doi: 10.1021/jp400483z
  • Equation of State of a Model Methane Clathrate Cage
    Santamaria, Ruben,Mondragón-Sánchez, Juan Antonio,Bokhimi, Xim
    J. Phys. Chem. A 2012, (116), 14, 3673 - 3680
    doi: 10.1021/jp2095467
  • Thermodynamic States of Nanoclusters at Low Pressure and Low Temperature: The Case of 13 H 2
    Soullard, Jacques,Santamaria, Ruben,Boyer, Denis
    J. Phys. Chem. A 2011, (115), 35, 9790 - 9800
    doi: 10.1021/jp204372k
  • Docking on the DNA G-quadruplex: A molecular electrostatic potential study
    Mondragón-Sánchez, Juan Antonio,Santamaria, Ruben,Garduño-Juárez, Ramón
    Biopolymers 2011, (95), 9, 641 - 650
    doi: 10.1002/bip.21634
  • Thermal behavior of a 13-molecule hydrogen cluster under pressure
    Santamaria, Rubén,Soullard, Jacques,Jellinek, Julius
    The Journal of Chemical Physics 2010, (132), 12, 124505 -
    doi: 10.1063/1.3359460
  • Vibrational Circular Dichroism and IR Absorption Spectra of Amino Acids: A Density Functional Study
    Ji, Zhi,Santamaria, Rubén,Garzón, Ignacio L.
    J. Phys. Chem. A 2010, (114), 10, 3591 - 3601
    doi: 10.1021/jp9108442

Patentes: