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The Journal of Physical Chemistry. A|July 29, 2008
Impurity effects on small Pd clusters: a relativistic density functional study of Pd4X, X = H, C, OAlexander Genest, Sven Krüger, Notker RöschThe Journal of Physical Chemistry. A|August 25, 2018
DFT Variants for Mixed-Metal Oxides. Benchmarks Using Multi-Center Cluster ModelsGraham Rugg, Alexander Genest, Notker RöschThe Journal of Physical Chemistry. A|April 10, 2014
Does the preferred mechanism of a catalytic transformation depend on the density functional? Ethylene hydrosilylation by a metal complex as a case studyYin Wu, Alexander Genest, Notker RöschThe Journal of Physical Chemistry. A|April 17, 2015
Assessment of hybrid density functionals for the adsorption of carbon monoxide on platinum model clustersThomas M Soini, Alexander Genest, Notker RöschChemistry (Weinheim an Der Bergstrasse, Germany)|June 14, 2012
Thermal decomposition of branched silanes: a computational study on mechanismsWilhelm A Eger, Alexander Genest, Notker RöschPhysical Chemistry Chemical Physics : PCCP|July 21, 2006
Two hydrogen ligands on tetrairidium clusters: a relativistic density functional studySven Krüger, Chuenchit Bussai, Alexander Genest, et al.Journal of Molecular Modeling|July 4, 2012
Bis-dibenzo[a.i]fluorenylidene, does it exist as stable 1,2-diradical?Basem Kanawati, Alexander Genest, Philippe Schmitt-Kopplin, et al.Physical Chemistry Chemical Physics : PCCP|May 22, 2015
C-O cleavage of aromatic oxygenates over ruthenium catalysts. A computational study of reactions at step sitesCheng-chau Chiu, Alexander Genest, Armando Borgna, et al.Chemsuschem|October 4, 2012
Carbon dioxide insertion into diamines: a computational study of solvent effectsWilhelm A Eger, Alexander Genest, Bernhard Rieger, et al.Chemical Record (New York, N.Y.)|August 16, 2016
Transformations of Organic Molecules over Metal Surfaces: Insights from Computational CatalysisLyudmila Moskaleva, Cheng-Chau Chiu, Alexander Genest, et al.Pageof 3