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List of works by Ali Kachmar

A New Class of Efficient Electrocatalysts for the Reduction of Protons into Hydrogen Based on the [Mo2O2S2]2+Building Block

An efficient and cyclic hydrogen evolution reaction mechanism on [Ni(PH2NH2)2]2+ catalysts: a theoretical and multiscale simulation study

scholarly article in RSC Advances, vol. 4 no. 10, 2014

Back Cover: Mapping the Free Energy of Lithium Solvation in the Protic Ionic Liquid Ethylammonuim Nitrate: A Metadynamics Study (ChemSusChem 15/2017)

Changing the Oxothiomolybdate Ring from an Anionic to a Cationic Receptor

scientific article published on 12 October 2007

Conformational changes in a flexible, encapsulated dicarboxylate: evidence from density functional theory simulations

scientific article published in August 2009

Dynamic properties of a hexadecamolybdenum wheel: studies in solution and density functional theory calculations

scientific article

Effects of electron-phonon coupling on electronic properties of methylammonium lead iodide perovskites

scientific article published on 07 December 2018

Free Energy Landscape of Sodium Solvation into Graphite

Host–guest adaptability within oxothiomolybdenum wheels: structures, studies in solution and DFT calculations

scientific article published on 24 May 2007

Mapping the Free Energy of Lithium Solvation in the Protic Ionic Liquid Ethylammonuim Nitrate: A Metadynamics Study

scientific article published on 26 May 2017

New Insights in the Electrocatalytic Proton Reduction and Hydrogen Oxidation by Bioinspired Catalysts: A DFT Investigation

scientific article published on 01 November 2010

Tetrahedral germanium in amorphous phase change materials: Exploring the isochemical scenario

scholarly article by Matthieu Micoulaut et al published 29 August 2012 in Physica Status Solidi B

The “hydrazinoturn” hydrogen bonding network in hydrazinopeptides and aza-β3-peptides as probed by an AIM topological analysis of the electronic density

Tuning the thermodynamic stability of oxothiomolybdenum wheels: crystal structures, studies in solution and DFT calculations

scientific article

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