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Chemistry (Weinheim an Der Bergstrasse, Germany)|November 19, 2016
Deeper Insight into the Factors Controlling H2 Activation by Geminal Aminoborane-Based Frustrated Lewis PairsDiana Yepes, Pablo Jaque, Israel FernándezChemistry (Weinheim an Der Bergstrasse, Germany)|April 16, 2018
Hydrogenation of Multiple Bonds by Geminal Aminoborane-Based Frustrated Lewis PairsDiana Yepes, Pablo Jaque, Israel FernándezJournal 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 analysisDiana Yepes, Jorge I Martínez-Araya, Pablo JaquePhysical 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 studyDiana Yepes, Pablo Jaque, Jorge I Martínez-ArayaJournal of the American Chemical Society|January 28, 2020
Unveiling the Delicate Balance of Steric and Dispersion Interactions in Organocatalysis Using High-Level Computational MethodsDiana Yepes, Frank Neese, Benjamin List, et al.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 systemsJorge I Martínez-Araya, Diana Yepes, Pablo JaqueJournal of Molecular Modeling|July 20, 2014
Driving and retarding forces in a chemical reactionPeter Politzer, Jane S Murray, Diana Yepes, et al.Journal of Molecular Modeling|April 28, 2012
Structures, energies and bonding in neutral and charged Li microclustersDiana Yepes, Steven Robert Kirk, Samantha Jenkins, 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.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.Pageof 2