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Journal of Chemical Theory and Computation|November 21, 2015
Hybrid Density Functionals for Clusters of Late Transition Metals: Assessing Energetic and Structural PropertiesThomas M Soini, Alexander Genest, Astrid Nikodem, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|May 19, 2022
Active sites and deactivation of room temperature CO oxidation on Co<sub>3</sub>O<sub>4</sub>catalysts: combined experimental and computational investigationsNevzat Yigit, Alexander Genest, Schamil Terloev, et al.Advanced Science (Weinheim, Baden-Wurttemberg, Germany)|August 24, 2025
Operando TEM Study of Partial Oxidation of Methane Over Pd NanoparticlesYingying Jiang, Parinya Lewis Tangpakonsab, Alexander Genest, et al.Journal of Chemical Theory and Computation|December 3, 2015
The IMOMM (Integrated Molecular Orbitals/Molecular Mechanics) Approach for Ligand-Stabilized Metal Clusters. Comparison to Full Density Functional Calculations for the Model Thiolate Cluster Cu13(SCH2CH3)8Alexander Genest, André Woiterski, Sven Krüger, et al.Dalton Transactions (Cambridge, England : 2003)|July 2, 2015
Structure and electronic properties of MoVO type mixed-metal oxides - a combined view by experiment and theoryCheng-Chau Chiu, Thomas Vogt, Lili Zhao, et al.The Journal of Chemical Physics|July 27, 2012
Scalable properties of metal clusters: a comparative study of modern exchange-correlation functionalsRalph Koitz, Thomas M Soini, Alexander Genest, et al.Journal of Computational Chemistry|February 20, 2014
Predicting adsorption enthalpies on silicalite and HZSM-5: A benchmark study on DFT strategies addressing dispersion interactionsCheng-chau Chiu, Georgi N Vayssilov, Alexander Genest, et al.Nano Letters|April 4, 2012
Size dependence of the adsorption energy of CO on metal nanoparticles: a DFT search for the minimum valueIlya V Yudanov, Alexander Genest, Swetlana Schauermann, et al.Nature Communications|October 21, 2021
The origin of the particle-size-dependent selectivity in 1-butene isomerization and hydrogenation on Pd/Al<sub>2</sub>O<sub>3</sub> catalystsAlexander Genest, Joaquín Silvestre-Albero, Wen-Qing Li, et al.Nature Communications|November 8, 2023
Lanthanum modulated reaction pacemakers on a single catalytic nanoparticleMaximilian Raab, Johannes Zeininger, Yuri Suchorski, et al.Pageof 3