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Journal of Molecular Modeling|August 24, 2014
Polarizability of neutral copper clustersPablo Jaque, Alejandro Toro-LabbéThe 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 thymineElizabeth Rincón, Pablo Jaque, Alejandro Toro-LabbéThe 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|March 31, 2006
Molecular structure and bonding of copper cluster monocarbonyls CunCO (n = 1-9)Albert Poater, Miquel Duran, Pablo Jaque, et al.Physical Chemistry Chemical Physics : PCCP|March 14, 2009
Analyzing Kullback-Leibler information profiles: an indication of their chemical relevanceAlex Borgoo, Pablo Jaque, Alejandro Toro-Labbé, et al.The Journal of Organic Chemistry|July 10, 2010
Regioselectivity of radical additions to substituted alkenes: insight from conceptual density functional theoryFreija De Vleeschouwer, Pablo Jaque, Paul Geerlings, et al.Journal of Molecular Modeling|June 27, 2012
Fine structure in the transition region: reaction force analyses of water-assisted proton transfersDiana Yepes, Jane S Murray, Juan C Santos, et al.Physical Chemistry Chemical Physics : PCCP|March 27, 2015
A computational and conceptual DFT study on the mechanism of hydrogen activation by novel frustrated Lewis pairsPatricia Pérez, Diana Yepes, Pablo Jaque, et al.The Journal of Physical Chemistry. A|June 15, 2007
The role of reaction force and chemical potential in characterizing the mechanism of double proton transfer in the adenine-uracil complexBárbara Herrera, Alejandro Toro-LabbéThe Journal of Physical Chemistry. A|March 25, 2011
The mechanism of H2 activation by (amino)carbenesFernanda Duarte, Alejandro Toro-LabbéPageof 14