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The Journal of Physical Chemistry. A
|
July 28, 2006
Reaction force analysis of the effect of Mg(II) on the 1,3 intramolecular hydrogen transfer in thymine
Elizabeth Rincón, Pablo Jaque, Alejandro Toro-Labbé
Journal of Molecular Modeling
|
September 9, 2019
Further understanding of the Ru-centered [2+2] cycloreversion/cycloaddition involved into the interconversion of ruthenacyclobutane using the Grubbs catalysts from a reaction force analysis
Katherine Paredes-Gil, Fernando Mendizábal, Pablo Jaque
Physical Chemistry Chemical Physics : PCCP
|
July 19, 2019
Scrutinizing the substituent effect on Mo-based electrocatalysts for molecular hydrogen release through axial-equatorial decomposition: a DFT study
Diana Yepes, Pablo Jaque, Jorge I Martínez-Araya
Journal of Molecular Modeling
|
December 29, 2017
A 3D visualization of the substituent effect : A brief analysis of two components of the operational formula of dual descriptor for open-shell systems
Jorge I Martínez-Araya, Diana Yepes, Pablo Jaque
Journal of Molecular Modeling
|
December 31, 2017
Solvent effect on the degree of (a)synchronicity in polar Diels-Alder reactions from the perspective of the reaction force constant analysis
Diana Yepes, Jorge I Martínez-Araya, Pablo Jaque
Physical Chemistry Chemical Physics : PCCP
|
December 1, 2010
Theoretical analysis based on X-H bonding strength and electronic properties in red- and blue-shifting hydrogen-bonded X-H···π complexes
Oscar Donoso-Tauda, Pablo Jaque, Juan C Santos
The Journal of Physical Chemistry. A
|
January 15, 2021
1,3-Dipolar Cycloadditions by a Unified Perspective Based on Conceptual and Thermodynamics Models of Chemical Reactivity
César Barrales-Martínez, Jorge I Martínez-Araya, Pablo Jaque
Journal of Molecular Modeling
|
July 20, 2014
Driving and retarding forces in a chemical reaction
Peter Politzer, Jane S Murray, Diana Yepes, et al.
The Journal of Physical Chemistry. A
|
September 5, 2014
Traditional and ion-pair halogen-bonded complexes between chlorine and bromine derivatives and a nitrogen-heterocyclic carbene
Oscar Donoso-Tauda, Pablo Jaque, José Elguero, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 22, 2025
A statistical theory of reactivity based on molecular orbitals participation and its application to organic reactions
Javier Oller, Paul Geerlings, Frank De Proft, et al.
Page
of 5
Search research articles
Search
Showing results (11-20 of 45) with videos related to
Sort By:
Page
of 5
The Journal of Physical Chemistry. A
|
July 28, 2006
Reaction force analysis of the effect of Mg(II) on the 1,3 intramolecular hydrogen transfer in thymine
Elizabeth Rincón, Pablo Jaque, Alejandro Toro-Labbé
Journal of Molecular Modeling
|
September 9, 2019
Further understanding of the Ru-centered [2+2] cycloreversion/cycloaddition involved into the interconversion of ruthenacyclobutane using the Grubbs catalysts from a reaction force analysis
Katherine Paredes-Gil, Fernando Mendizábal, Pablo Jaque
Physical Chemistry Chemical Physics : PCCP
|
July 19, 2019
Scrutinizing the substituent effect on Mo-based electrocatalysts for molecular hydrogen release through axial-equatorial decomposition: a DFT study
Diana Yepes, Pablo Jaque, Jorge I Martínez-Araya
Journal of Molecular Modeling
|
December 29, 2017
A 3D visualization of the substituent effect : A brief analysis of two components of the operational formula of dual descriptor for open-shell systems
Jorge I Martínez-Araya, Diana Yepes, Pablo Jaque
Journal of Molecular Modeling
|
December 31, 2017
Solvent effect on the degree of (a)synchronicity in polar Diels-Alder reactions from the perspective of the reaction force constant analysis
Diana Yepes, Jorge I Martínez-Araya, Pablo Jaque
Physical Chemistry Chemical Physics : PCCP
|
December 1, 2010
Theoretical analysis based on X-H bonding strength and electronic properties in red- and blue-shifting hydrogen-bonded X-H···π complexes
Oscar Donoso-Tauda, Pablo Jaque, Juan C Santos
The Journal of Physical Chemistry. A
|
January 15, 2021
1,3-Dipolar Cycloadditions by a Unified Perspective Based on Conceptual and Thermodynamics Models of Chemical Reactivity
César Barrales-Martínez, Jorge I Martínez-Araya, Pablo Jaque
Journal of Molecular Modeling
|
July 20, 2014
Driving and retarding forces in a chemical reaction
Peter Politzer, Jane S Murray, Diana Yepes, et al.
The Journal of Physical Chemistry. A
|
September 5, 2014
Traditional and ion-pair halogen-bonded complexes between chlorine and bromine derivatives and a nitrogen-heterocyclic carbene
Oscar Donoso-Tauda, Pablo Jaque, José Elguero, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 22, 2025
A statistical theory of reactivity based on molecular orbitals participation and its application to organic reactions
Javier Oller, Paul Geerlings, Frank De Proft, et al.
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of 5