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Publications by J. Autschbach
The Roles of 4f- And 5f-Orbitals in Bonding: A Magnetochemical, Crystal Field, Density Functional Theory, and Multi-Reference Wavefunction Study
Dalton Transactions
Inorganic Chemistry
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Multiconfigurational Nature of 5f Orbitals in Uranium and Plutonium Intermetallics
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Density Functional Theory of Freezing: Analysis of Crystal Density
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Acetate Ligands Determine the Crystal Structure of CdSe Nanoplatelets – A Density Functional Theory Study
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Complex Orbitals, Multiple Local Minima, and Symmetry Breaking in Perdew–Zunger Self-Interaction Corrected Density Functional Theory Calculations
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Self-Consistent Density Functional Calculations of the Crystal Field Levels in Lanthanide and Actinide Dioxides
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Evaluation of 27Al and 51V Electric Field Gradients and the Crystal Structure for Aluminum Orthovanadate (AlVO4) by Density Functional Theory Calculations
Structure and Energy of Mo27SxCy Clusters: A Density Functional Theory Study
Refining Crystal Structures With Quadrupolar NMR and Dispersion-Corrected Density Functional Theory
Near Surface Stoichiometry in UO2: A Density Functional Theory Study
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Chemistry
