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Pablo Jaque

Showing results (21-30 of 45) with videos related to

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The Journal of Physical Chemistry. A|June 12, 2008
The study of redox reactions on the basis of conceptual DFT principles: EEM and vertical quantitiesJan Moens, Pablo Jaque, Frank De Proft, et al.
Physical Chemistry Chemical Physics : PCCP|July 12, 2012
The reaction force constant: an indicator of the synchronicity in double proton transfer reactionsDiana Yepes, Jane S Murray, Peter Politzer, et al.
Physical Chemistry Chemical Physics : PCCP|December 11, 2024
Identifying reactive normal modes and their effect on regioselectivity in Myers-Saito and Schmittel cyclization of enyne-allenes: a combined perspective between the reaction force constant and statistical toolsAndrés F Flor-López, Ricardo A Matute, Pablo Jaque
Dalton Transactions (Cambridge, England : 2003)|April 29, 2025
The connection between hydride affinity and local electrophilicity: a key factor in designing frustrated Lewis pairs for reversible H<sub>2</sub> activationCésar Barrales-Martínez, Rocío Durán, Julio Caballero, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|February 13, 2009
A new view on the spectrochemical and nephelauxetic series on the basis of spin-polarized conceptual DFTJan Moens, Pablo Jaque, Frank De Proft, et al.
The Journal of Physical Chemistry. A|December 17, 2008
Theoretical study of the regioselectivity of [2 + 2] photocycloaddition reactions of acrolein with olefinsPablo Jaque, Alejandro Toro-Labbé, Paul Geerlings, et al.
The Journal of Physical Chemistry. B|June 6, 2014
Photoemission spectra and density functional theory calculations of 3d transition metal-aqua complexes (Ti-Cu) in aqueous solutionDiana Yepes, Robert Seidel, Bernd Winter, et al.
The Journal of Physical Chemistry. A|February 15, 2020
Real-Space Approach to the Reaction Force: Understanding the Origin of Synchronicity/Nonsynchronicity in Multibond Chemical ReactionsDiana Yepes, Julen Munarriz, Daniel l'Anson, et al.
The Journal of Physical Chemistry. B|March 31, 2006
Molecular structure and bonding of copper cluster monocarbonyls CunCO (n = 1-9)Albert Poater, Miquel Duran, Pablo Jaque, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|September 1, 2007
Can electrophilicity act as a measure of the redox potential of first-row transition metal ions?Jan Moens, Goedele Roos, Pablo Jaque, et al.
Pageof 5

Showing results (21-30 of 45) with videos related to

Sort By:
Pageof 5
The Journal of Physical Chemistry. A|June 12, 2008
The study of redox reactions on the basis of conceptual DFT principles: EEM and vertical quantitiesJan Moens, Pablo Jaque, Frank De Proft, et al.
Physical Chemistry Chemical Physics : PCCP|July 12, 2012
The reaction force constant: an indicator of the synchronicity in double proton transfer reactionsDiana Yepes, Jane S Murray, Peter Politzer, et al.
Physical Chemistry Chemical Physics : PCCP|December 11, 2024
Identifying reactive normal modes and their effect on regioselectivity in Myers-Saito and Schmittel cyclization of enyne-allenes: a combined perspective between the reaction force constant and statistical toolsAndrés F Flor-López, Ricardo A Matute, Pablo Jaque
Dalton Transactions (Cambridge, England : 2003)|April 29, 2025
The connection between hydride affinity and local electrophilicity: a key factor in designing frustrated Lewis pairs for reversible H<sub>2</sub> activationCésar Barrales-Martínez, Rocío Durán, Julio Caballero, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|February 13, 2009
A new view on the spectrochemical and nephelauxetic series on the basis of spin-polarized conceptual DFTJan Moens, Pablo Jaque, Frank De Proft, et al.
The Journal of Physical Chemistry. A|December 17, 2008
Theoretical study of the regioselectivity of [2 + 2] photocycloaddition reactions of acrolein with olefinsPablo Jaque, Alejandro Toro-Labbé, Paul Geerlings, et al.
The Journal of Physical Chemistry. B|June 6, 2014
Photoemission spectra and density functional theory calculations of 3d transition metal-aqua complexes (Ti-Cu) in aqueous solutionDiana Yepes, Robert Seidel, Bernd Winter, et al.
The Journal of Physical Chemistry. A|February 15, 2020
Real-Space Approach to the Reaction Force: Understanding the Origin of Synchronicity/Nonsynchronicity in Multibond Chemical ReactionsDiana Yepes, Julen Munarriz, Daniel l'Anson, et al.
The Journal of Physical Chemistry. B|March 31, 2006
Molecular structure and bonding of copper cluster monocarbonyls CunCO (n = 1-9)Albert Poater, Miquel Duran, Pablo Jaque, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|September 1, 2007
Can electrophilicity act as a measure of the redox potential of first-row transition metal ions?Jan Moens, Goedele Roos, Pablo Jaque, et al.
Pageof 5