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Physical Chemistry Chemical Physics : PCCP|June 10, 2022
A doxorubicin-peptide-gold nanoparticle conjugate as a functionalized drug delivery system: exploring the limitsKai S Exner, Anela IvanovaThe Journal of Physical Chemistry. B|February 19, 2021
Method to Construct Volcano Relations by Multiscale Modeling: Building Bridges between the Catalysis and Biosimulation CommunitiesKai S Exner, Anela IvanovaAccounts of Chemical Research|May 3, 2017
Kinetics of Electrocatalytic Reactions from First-Principles: A Critical Comparison with the Ab Initio Thermodynamics ApproachKai S Exner, Herbert OverColloids and Surfaces. B, Biointerfaces|June 23, 2020
Identifying a gold nanoparticle as a proactive carrier for transport of a doxorubicin-peptide complexKai S Exner, Anela IvanovaAngewandte Chemie (International Ed. in English)|April 20, 2026
Atomic-Scale Understanding of Selectivity Control in Nitrate Reduction on Cu(100) Under Acidic and Alkaline ConditionsEbrahim Tayyebi, Kai S ExnerIscience|February 5, 2024
Why efficient bifunctional hydrogen electrocatalysis requires a change in the reaction mechanismSamad Razzaq, Kai S ExnerMaterials Horizons|May 30, 2025
Unveiling selectivity trends for CO2 reduction reaction over Ti3C2Tx MXene: the key role of less-stable intermediate states and coadsorbatesPablo Lozano-Reis, Kai S ExnerACS Physical Chemistry Au|January 27, 2025
Design Criteria for Active and Selective Catalysts in the Nitrogen Oxidation ReactionMuhammad Usama, Samad Razzaq, Kai S ExnerPhysical Chemistry Chemical Physics : PCCP|August 19, 2024
Best practices of modeling complex materials in electrocatalysis, exemplified by oxygen evolution reaction on pentlanditesMaksim Sokolov, Katharina Doblhoff-Dier, Kai S ExnerAngewandte Chemie (International Ed. in English)|May 12, 2016
Full Kinetics from First Principles of the Chlorine Evolution Reaction over a RuO2 (110) Model ElectrodeKai S Exner, Josef Anton, Timo Jacob, et al.Pageof 4