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Impurity Atoms on Small Transition Metal Clusters. Insights from Density Functional Model Studies
Springer Verlag | 2011| -
Impurity Atoms on Small Transition Metal Clusters. Insights from Density Functional Model Studies
Online Contents | 2011| -
Impurity Atoms on Small Transition Metal Clusters. Insights from Density Functional Model Studies
Online Contents | 2011| -
Uranyl complexation by monodentate nitrogen donor ligands. A relativistic density functional study
Online Contents | 2011|Contributors: Krüger, Sven -
Quantum mechanical modeling of actinide complexes: Complexation by humic substances and sorption on clay minerals : Abschlussbericht für das Teilprojekt ; Projektlaufzeit: Juli 2006 bis Juni 2011
Free accessTIBKAT | 2011|Contributors: Krüger, Sven -
Self-interaction artifacts on structural features of uranyl monohydroxide from Kohn–Sham calculations
Online Contents | 2011|Contributors: Krüger, Sven -
Uranyl adsorption on solvated edge surfaces of pyrophyllite: a DFT model study
National licenceRoyal Society of Chemistry | 2012| -
Uranyl adsorption on solvated edge surfaces of pyrophyllite: a DFT model study
Online Contents | 2012|Contributors: Krüger, Sven -
Improving Upon String Methods for Transition State Discovery
Online Contents | 2012|Contributors: Krüger, Sven -
Uranyl(VI) Complexation by Sulfonate Ligands: A Relativistic Density Functional and Time‐Resolved Laser‐Induced Fluorescence Spectroscopy Study
Online Contents | 2012|Contributors: Krüger, Sven -
Structure of Pd/Au Alloy Nanoparticles from a Density Functional Theory-Based Embedded-Atom Potential
American Chemical Society | 2013| -
Assigning EXAFS results for uranyl adsorption on minerals via formal charges of bonding oxygen centers
Online Contents | 2013|Contributors: Krüger, Sven -
Structure of Pd/Au Alloy Nanoparticles from a Density Functional Theory-Based Embedded-Atom Potential
Online Contents | 2013|Contributors: Krüger, Sven -
The DFT+Umol method and its application to the adsorption of CO on platinum model clusters
American Institute of Physics | 2014| -
Monolayer Nanoislands of Pt on Au and Cu: A First-Principles Computational Study
American Chemical Society | 2014|
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