Search filters

List of works by Diana Yepes

A computational and conceptual DFT study on the mechanism of hydrogen activation by novel frustrated Lewis pairs

scientific article published on April 2015

Complementarity of reaction force and electron localization function analyses of asynchronicity in bond formation in Diels–Alder reactions

scientific article published on 03 March 2014

Deeper Insight into the Factors Controlling H2 Activation by Geminal Aminoborane-Based Frustrated Lewis Pairs

scientific article published on 16 November 2016

Driving and retarding forces in a chemical reaction

scientific article published on 19 July 2014

Effect of the exchange-correlation functional on the synchronicity/nonsynchronicity in bond formation in Diels-Alder reactions: a reaction force constant analysis

scientific article published on 01 April 2019

Fine structure in the transition region: reaction force analyses of water-assisted proton transfers

scientific article

Hydrogenation of Multiple Bonds by Geminal Aminoborane-Based Frustrated Lewis Pairs

scientific article published on 22 May 2018

Photoemission spectra and density functional theory calculations of 3d transition metal-aqua complexes (Ti-Cu) in aqueous solution

scientific article published on 5 June 2014

Real-Space Approach to the Reaction Force: Understanding the Origin of Synchronicity/Nonsynchronicity in Multibond Chemical Reactions

scientific article published on 28 February 2020

Scrutinizing the substituent effect on Mo-based electrocatalysts for molecular hydrogen release through axial-equatorial decomposition: a DFT study

scientific article published on 01 July 2019

Structures, energies and bonding in neutral and charged Li microclusters

scientific article published on 27 April 2012

The reaction force constant as an indicator of synchronicity/nonsynchronicity in [4+2] cycloaddition processes

scientific article published in May 2013

The reaction force constant: an indicator of the synchronicity in double proton transfer reactions

scientific article published on 10 July 2012

Why Low Valent Lead(II) Hydride Complex Would be a Better Catalyst for CO2 Activation than Its 14 Group Analogues?

Paulina is supported by:

About Paulina

Help