Thorsten Klüner

Carl von Ossietzky Universität Oldenburg — Germany

Physics and Astronomy · Physical Sciences

30h-index3.3kcitations190works1.82yr avg
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Research Topics

Advanced Chemical Physics Studies(59), Catalytic Processes in Materials Science(40), Spectroscopy and Quantum Chemical Studies(33), Crystallization and Solubility Studies(24), X-ray Diffraction in Crystallography(24)

Publications190 total

Ab Initio Investigation on the Magnetic Moments, Magnetocrystalline Anisotropy and Curie Temperature of Fe2P-Based Magnets
Magnetism·2025Open Access
Structure, phase transitions and hard magnetic properties of ternary Fe1.93(P1-Six) compounds with x ≤ 0.5
Acta Materialia·2025· 3 cited
Theoretical and experimental investigations on <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>Fe</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:mi mathvariant="normal">P</mml:mi></mml:mrow></mml:math>-type magnets: Effects of Si and Co substitution on physical and magnetic properties
Physical Review Materials·2024· 2 cited
Effect of Zr Substitution on the Nd-Based Magnets: Theoretical Investigation of (Zr,Nd)(Fe,Ti)&lt;sub&gt;12&lt;/sub&gt; Compounds
Journal of the Magnetics Society of Japan·2024· 1 citedOpen Access
<i>Ab initio</i> calculations of the chemisorption of atomic H and O on Pt and Ir metal and on bimetallic Pt<sub> <i>x</i> </sub>Ir<sub> <i>y</i> </sub> surfaces
Zeitschrift für Naturforschung B·2024· 3 cited
Revisiting the Strongly Correlated Si-Terminated 3C-SiC(001)-<i>p</i>(2 × 1) Reconstructed Surface with Single- and Multiconfigurational Methods
The Journal of Physical Chemistry C·2023Open Access
Density Functional Theory Calculations for Multiple Conformers Explaining the Regio‐ and Stereoselectivity of Ti‐Catalyzed Hydroaminoalkylation Reactions
ChemPhysChem·2023· 5 citedOpen Access
Nanoporous Gold: From Structure Evolution to Functional Properties in Catalysis and Electrochemistry
Chemical Reviews·2023· 87 citedOpen Access
Magnetic properties of rare-earth-lean ThMn12-type (Nd,X)Fe11Ti (X: Y and Ce) compounds: A DFT study
Journal of Magnetism and Magnetic Materials·2023· 12 cited
Ab initio phase stabilities of rare-earth lean Nd-based hard magnets
Journal of Magnetism and Magnetic Materials·2022· 11 cited
CCDC 2070446: Experimental Crystal Structure Determination
The Cambridge Structural Database·2021Open Access
CCDC 2070447: Experimental Crystal Structure Determination
The Cambridge Structural Database·2021Open Access
CCDC 2070445: Experimental Crystal Structure Determination
The Cambridge Structural Database·2021Open Access
CD Stretching Modes are Sensitive to the Microenvironment in Ionic Liquids
Chemistry - A European Journal·2021· 4 citedOpen Access
Quantum Chemical Investigation of Photocatalytical Sulfoxidation of Hydrocarbons on TiO<sub>2</sub>
The Journal of Physical Chemistry C·2021· 3 cited
Multidentate Interaction of Methylamine with Rutile TiO<sub>2</sub> (110)
The Journal of Physical Chemistry C·2021· 5 cited
Charge-Transfer Promoted Fixation of Glyphosate on TiO2 - a Multiscale Approach
2021· 1 citedOpen Access
Charge-Transfer Promoted Fixation of Glyphosate on TiO2 - a Multiscale Approach
2021· 1 citedOpen Access
Selective propargylic C(sp<sup>3</sup>)–H activation of methyl-substituted alkynes <i>versus</i> [2 + 2] cycloaddition at a titanium imido template
Chemical Science·2021· 7 citedOpen Access
Electronic Transitions in Different Redox States of Trinuclear 5,6,11,12,17,18‐Hexaazatrinaphthylene‐Bridged Titanium Complexes: Spectroelectrochemistry and Quantum Chemistry
ChemPhysChem·2020
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Frequent Co-authors

Hans‐Joachim Freund(10), Lyudmila V. Moskaleva(7), Marcus Bäumer(7), Volker Staemmler(7), Ronnie Kosloff(7), Mathias S. Wickleder(6), Wilke Dononelli(5), Stephan Thiel(5), Thomas Risse(4), Gabriele Tomaschun(4), Christian Logemann(4), Niranjan Govind(3), Emily A. Carter(3), Volkmar Zielasek(3), Wai‐Leung Yim(3), Christiane P. Koch(3), D. Lahav(3), Mikhail Pykavy(3), Jens Christoffers(3), Arne Wittstock(2)