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Physical Chemistry

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Theoretical and Computational Chemistry

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current density

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4 results in Keywords: current density

Theoretical and Computational Chemistry

Current density functional framework for spin–orbit coupling

Christof Holzer, Yannick J. Franzke, Ansgar Pausch

Version 2 posted 02 September 2022

345

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1

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Physical Chemistry

When Current Does Not Follow Bonds: Current Density in Saturated Molecules

Anders Jensen, Marc Hamilton Garner, Gemma C. Solomon

Version 1 posted 18 March 2019

521

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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

194

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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

296

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