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The Journal of Physical Chemistry. A
|
January 11, 2020
The Role of the Density Response Kernel in the Protonation Process
Andrés Cedillo
The Journal of Physical Chemistry. A
|
August 6, 2019
Comment on "Power Law Distribution Concerning Absolute Free Energies of Linear Sulfur Chains, Polythiazyls, Polyisoprenes, Linear <i>trans</i>-Polyenes, and Polyynes"
Andrés Cedillo
The Journal of Physical Chemistry. A
|
September 17, 2019
Reactivity of Carbon Molecular Clusters from a Hückel-Type Model
Andrés Cedillo, Carlos Cárdenas
Journal of Molecular Modeling
|
August 19, 2018
Chemical reactivity of the frustrated Lewis pairs in borophosphines: a theoretical analysis of their Lewis acidity, Lewis basicity and Fukui function
Mariano Méndez, Andrés Cedillo
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
Journal of Molecular Modeling
|
July 16, 2024
The use of constrained methods to analyze the molecular reactivity and to define a new type of pseudo atoms
Andrés Cedillo, José-Remy Martínez-Aguilar
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
April 14, 2016
Stability of the different AlOOH phases under pressure
Andrés Cedillo, Marc Torrent, Pietro Cortona
The Journal of Physical Chemistry. A
|
February 20, 2007
Electrodonating and electroaccepting powers
José L Gázquez, Andrés Cedillo, Alberto Vela
The Journal of Chemical Physics
|
May 10, 2011
Reactivity indicators for degenerate states in the density-functional theoretic chemical reactivity theory
Carlos Cárdenas, Paul W Ayers, Andrés Cedillo
Journal of Computational Chemistry
|
August 14, 2013
Bond Fukui indices: comparison of frozen molecular orbital and finite differences through Mulliken populations
Patrick Bultinck, Sofie Van Damme, Andrés Cedillo
Page
of 2
Search research articles
Search
Showing results (1-10 of 11) with videos related to
Sort By:
Page
of 2
The Journal of Physical Chemistry. A
|
January 11, 2020
The Role of the Density Response Kernel in the Protonation Process
Andrés Cedillo
The Journal of Physical Chemistry. A
|
August 6, 2019
Comment on "Power Law Distribution Concerning Absolute Free Energies of Linear Sulfur Chains, Polythiazyls, Polyisoprenes, Linear <i>trans</i>-Polyenes, and Polyynes"
Andrés Cedillo
The Journal of Physical Chemistry. A
|
September 17, 2019
Reactivity of Carbon Molecular Clusters from a Hückel-Type Model
Andrés Cedillo, Carlos Cárdenas
Journal of Molecular Modeling
|
August 19, 2018
Chemical reactivity of the frustrated Lewis pairs in borophosphines: a theoretical analysis of their Lewis acidity, Lewis basicity and Fukui function
Mariano Méndez, Andrés Cedillo
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
Journal of Molecular Modeling
|
July 16, 2024
The use of constrained methods to analyze the molecular reactivity and to define a new type of pseudo atoms
Andrés Cedillo, José-Remy Martínez-Aguilar
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
April 14, 2016
Stability of the different AlOOH phases under pressure
Andrés Cedillo, Marc Torrent, Pietro Cortona
The Journal of Physical Chemistry. A
|
February 20, 2007
Electrodonating and electroaccepting powers
José L Gázquez, Andrés Cedillo, Alberto Vela
The Journal of Chemical Physics
|
May 10, 2011
Reactivity indicators for degenerate states in the density-functional theoretic chemical reactivity theory
Carlos Cárdenas, Paul W Ayers, Andrés Cedillo
Journal of Computational Chemistry
|
August 14, 2013
Bond Fukui indices: comparison of frozen molecular orbital and finite differences through Mulliken populations
Patrick Bultinck, Sofie Van Damme, Andrés Cedillo
Page
of 2