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Journal of Computational Chemistry
|
December 6, 2023
Cycloaddition reactions via "on water" protocol reactions: A density functional theory study
L López-Sosa, P Calaminici
The Journal of Chemical Physics
|
October 24, 2007
Theoretical study of the structure and properties of Na-MOR and H-MOR zeolite models
V D Dominguez-Soria, P Calaminici, A Goursot
Journal of Computational Chemistry
|
August 28, 2023
Cartesian constraints in QM/MM optimizations
L López-Sosa, P Calaminici, A M Köster
The Journal of Physical Chemistry. A
|
April 26, 2019
Hybrid ADFT Study of the C<sub>104</sub> and C<sub>106</sub> IPR Isomers
S E Pérez-Figueroa, P Calaminici, A M Köster
The Journal of Physical Chemistry. A
|
April 13, 2022
Isomerization Reactions of the Cu<sub>15</sub>V<sup>+</sup> Cluster: A Density Functional Theory Study
L López-Sosa, Jorge A Sanchez-Álvarez, P Calaminici
The Journal of Chemical Physics
|
March 27, 2012
Structural changes of Pd13 upon charging and oxidation/reduction
J Ulises Reveles, A M Köster, P Calaminici, et al.
Journal of Computational Chemistry
|
April 16, 2024
Theoretical study of PdNi and PdCu clusters embedded on graphene modified by monovacancy and nitrogen doping
E A Ortiz-Vázquez, F Montejo-Alvaro, H Cruz-Martínez, et al.
Journal of Computational Chemistry
|
February 11, 2025
Metal Dimers-Doped h-BN Structures as Novel Toxic Gases Sensors With Enhanced Sensitivity Properties: An ADFT Study
H Cruz-Martínez, H Rojas-Chávez, L Santiago-Silva, et al.
Journal of Molecular Modeling
|
February 10, 2025
Structural transformation in Pd nanoclusters induced by Cu doping: an ADFT study
L Santiago-Silva, H Cruz-Martínez, H Rojas-Chávez, et al.
Journal of Molecular Modeling
|
July 17, 2023
Pd<sub>2</sub> and CoPd dimers/N-doped graphene sensors with enhanced sensitivity for CO detection: A first-principles study
E P Sánchez-Rodríguez, G Santos-López, H Cruz-Martínez, et al.
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of 2
Search research articles
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Showing results (1-10 of 13) with videos related to
Sort By:
Page
of 2
Journal of Computational Chemistry
|
December 6, 2023
Cycloaddition reactions via "on water" protocol reactions: A density functional theory study
L López-Sosa, P Calaminici
The Journal of Chemical Physics
|
October 24, 2007
Theoretical study of the structure and properties of Na-MOR and H-MOR zeolite models
V D Dominguez-Soria, P Calaminici, A Goursot
Journal of Computational Chemistry
|
August 28, 2023
Cartesian constraints in QM/MM optimizations
L López-Sosa, P Calaminici, A M Köster
The Journal of Physical Chemistry. A
|
April 26, 2019
Hybrid ADFT Study of the C<sub>104</sub> and C<sub>106</sub> IPR Isomers
S E Pérez-Figueroa, P Calaminici, A M Köster
The Journal of Physical Chemistry. A
|
April 13, 2022
Isomerization Reactions of the Cu<sub>15</sub>V<sup>+</sup> Cluster: A Density Functional Theory Study
L López-Sosa, Jorge A Sanchez-Álvarez, P Calaminici
The Journal of Chemical Physics
|
March 27, 2012
Structural changes of Pd13 upon charging and oxidation/reduction
J Ulises Reveles, A M Köster, P Calaminici, et al.
Journal of Computational Chemistry
|
April 16, 2024
Theoretical study of PdNi and PdCu clusters embedded on graphene modified by monovacancy and nitrogen doping
E A Ortiz-Vázquez, F Montejo-Alvaro, H Cruz-Martínez, et al.
Journal of Computational Chemistry
|
February 11, 2025
Metal Dimers-Doped h-BN Structures as Novel Toxic Gases Sensors With Enhanced Sensitivity Properties: An ADFT Study
H Cruz-Martínez, H Rojas-Chávez, L Santiago-Silva, et al.
Journal of Molecular Modeling
|
February 10, 2025
Structural transformation in Pd nanoclusters induced by Cu doping: an ADFT study
L Santiago-Silva, H Cruz-Martínez, H Rojas-Chávez, et al.
Journal of Molecular Modeling
|
July 17, 2023
Pd<sub>2</sub> and CoPd dimers/N-doped graphene sensors with enhanced sensitivity for CO detection: A first-principles study
E P Sánchez-Rodríguez, G Santos-López, H Cruz-Martínez, et al.
Page
of 2