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Inorganic Chemistry

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Theoretical and Computational Chemistry

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Last 3 years

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Keywords

Transition-Metal Complexes

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3 results in Keywords: Transition-Metal Complexes

Theoretical and Computational Chemistry

Paramagnetic NMR Shifts for Triplet Systems and Beyond with Modern Relativistic Density Functional Methods

Yannick J. Franzke, Florian Bruder, Sebastian Gillhuber, Christof Holzer, Florian Weigend

Version 2 posted 26 October 2023

413

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Theoretical and Computational Chemistry

Zero-Field Splitting Parameters within Exact Two-Component Theory and Modern Density Functional Theory Using Seminumerical Integration

Florian Bruder, Yannick J. Franzke, Christof Holzer, Florian Weigend

Version 2 posted 11 September 2023

317

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Theoretical and Computational Chemistry

Computational Screening of Photodynamics of Transition-Metal Complexes

Nóra Kovács, Patrick Zobel

Version 1 posted 03 October 2023

192

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