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The Journal of Physical Chemistry. A
|
July 13, 2006
Koopmans-like approximation in the Kohn-Sham method and the impact of the frozen core approximation on the computation of the reactivity parameters of the density functional theory
Rubicelia Vargas, Jorge Garza, Andrés Cedillo
The Journal of Chemical Physics
|
July 23, 2004
Basis set effects on frontier molecular orbital energies and energy gaps: a comparative study between plane waves and localized basis functions in molecular systems
Myrna H Matus, Jorge Garza, Marcelo Galván
The Journal of Physical Chemistry. A
|
July 13, 2006
Role of Hartree-Fock and Kohn-Sham orbitals in the basis set superposition error for systems linked by hydrogen bonds
Jorge Garza, José-Zeferino Ramírez, Rubicelia Vargas
The Journal of Physical Chemistry. B
|
February 14, 2006
Effect of double bonds on the conducting properties of ciguatoxin 3C and tetrahydropyrane-based polymers: a theoretical study
Myrna H Matus, Jorge Garza, Marcelo Galván
Physical Chemistry Chemical Physics : PCCP
|
November 29, 2011
The role of conformational changes in the signal enhancement of a selective chemosensor of Pb2+
José-Zeferino Ramírez, Rubicelia Vargas, Jorge Garza
Physical Review. E
|
October 18, 2023
Finite element method as an alternative to study the electronic structure of confined atoms
Juan-José García-Miranda, Rubicelia Vargas, Jorge Garza
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
|
February 22, 2012
Ab initio modelling of protein-biomaterial interactions: influence of amino acid polar side chains on adsorption at hydroxyapatite surfaces
Albert Rimola, Marta Corno, Jorge Garza, et al.
The Journal of Physical Chemistry. A
|
December 1, 2015
Theoretical Study of Sodium Effect on the Gasification of Carbonaceous Materials with Carbon Dioxide
Lucas A Calderón, Jorge Garza, Juan F Espinal
The Journal of Chemical Physics
|
March 19, 2008
The Kohn-Sham kinetic energy density as indicator of the electron localization: atomic shell structure
Alejandra M Navarrete-López, Jorge Garza, Rubicelia Vargas
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
April 13, 2019
van der Waals exchange-correlation functionals over bulk and surface properties of transition metals
Joana Avelar, Albert Bruix, Jorge Garza, et al.
Page
of 6
Search research articles
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Showing results (1-10 of 57) with videos related to
Sort By:
Page
of 6
The Journal of Physical Chemistry. A
|
July 13, 2006
Koopmans-like approximation in the Kohn-Sham method and the impact of the frozen core approximation on the computation of the reactivity parameters of the density functional theory
Rubicelia Vargas, Jorge Garza, Andrés Cedillo
The Journal of Chemical Physics
|
July 23, 2004
Basis set effects on frontier molecular orbital energies and energy gaps: a comparative study between plane waves and localized basis functions in molecular systems
Myrna H Matus, Jorge Garza, Marcelo Galván
The Journal of Physical Chemistry. A
|
July 13, 2006
Role of Hartree-Fock and Kohn-Sham orbitals in the basis set superposition error for systems linked by hydrogen bonds
Jorge Garza, José-Zeferino Ramírez, Rubicelia Vargas
The Journal of Physical Chemistry. B
|
February 14, 2006
Effect of double bonds on the conducting properties of ciguatoxin 3C and tetrahydropyrane-based polymers: a theoretical study
Myrna H Matus, Jorge Garza, Marcelo Galván
Physical Chemistry Chemical Physics : PCCP
|
November 29, 2011
The role of conformational changes in the signal enhancement of a selective chemosensor of Pb2+
José-Zeferino Ramírez, Rubicelia Vargas, Jorge Garza
Physical Review. E
|
October 18, 2023
Finite element method as an alternative to study the electronic structure of confined atoms
Juan-José García-Miranda, Rubicelia Vargas, Jorge Garza
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
|
February 22, 2012
Ab initio modelling of protein-biomaterial interactions: influence of amino acid polar side chains on adsorption at hydroxyapatite surfaces
Albert Rimola, Marta Corno, Jorge Garza, et al.
The Journal of Physical Chemistry. A
|
December 1, 2015
Theoretical Study of Sodium Effect on the Gasification of Carbonaceous Materials with Carbon Dioxide
Lucas A Calderón, Jorge Garza, Juan F Espinal
The Journal of Chemical Physics
|
March 19, 2008
The Kohn-Sham kinetic energy density as indicator of the electron localization: atomic shell structure
Alejandra M Navarrete-López, Jorge Garza, Rubicelia Vargas
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
April 13, 2019
van der Waals exchange-correlation functionals over bulk and surface properties of transition metals
Joana Avelar, Albert Bruix, Jorge Garza, et al.
Page
of 6