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13 results in Authors: Yannick J. Franzke

Theoretical and Computational Chemistry

Working Paper

Hyperfine Coupling Constants in Local Exact Two-Component Theory

Yannick J. Franzke, Jason M. Yu

Version 2 posted 15 November 2021

747

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Theoretical and Computational Chemistry

Working Paper

A Local Hybrid Exchange Functional Approximation from First Principles

Christof Holzer, Yannick J. Franzke

Version 1 posted 24 May 2022

275

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Theoretical and Computational Chemistry

Working Paper

Current density functional framework for spin–orbit coupling

Christof Holzer, Yannick J. Franzke, Ansgar Pausch

Version 2 posted 02 September 2022

350

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Citations

Theoretical and Computational Chemistry

Working Paper

Paramagnetic NMR Shielding Tensors Based on Scalar Exact Two-Component and Spin-Orbit Perturbation Theory

Florian Bruder, Yannick J. Franzke, Florian Weigend

Version 2 posted 14 June 2022

338

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Citations

Theoretical and Computational Chemistry

Working Paper

Exact Two-Component Theory Becoming an Efficient Tool for NMR Shieldings and Shifts with Spin-Orbit Coupling

Yannick J. Franzke, Christof Holzer

Version 3 posted 25 August 2023

369

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Theoretical and Computational Chemistry

Working Paper

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

314

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Theoretical and Computational Chemistry

Working Paper

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

211

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Inorganic Chemistry

Working Paper

Comments on “Does φ-Aromaticity exist in prismatic {Bi6}-based clusters?”

Benjamin Peerless, Andreas Schmidt, Yannick J. Franzke, Stefanie Dehnen

Version 2 posted 27 February 2024

431

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Theoretical and Computational Chemistry

Working Paper

Reducing Exact Two-Component Theory for NMR Couplings to a One-Component Approach: Efficiency and Accuracy

Yannick J. Franzke

Version 1 posted 08 December 2022

213

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Theoretical and Computational Chemistry

Working Paper

Impact of the current density on paramagnetic NMR properties

Yannick J. Franzke, Christof Holzer

Version 1 posted 17 June 2022

123

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13 results in Yannick J. Franzke in Authors: Yannick J. Franzke

Hyperfine Coupling Constants in Local Exact Two-Component Theory

A Local Hybrid Exchange Functional Approximation from First Principles

Current density functional framework for spin–orbit coupling

Paramagnetic NMR Shielding Tensors Based on Scalar Exact Two-Component and Spin-Orbit Perturbation Theory

Exact Two-Component Theory Becoming an Efficient Tool for NMR Shieldings and Shifts with Spin-Orbit Coupling

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

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

Comments on “Does φ-Aromaticity exist in prismatic {Bi6}-based clusters?”

Reducing Exact Two-Component Theory for NMR Couplings to a One-Component Approach: Efficiency and Accuracy

Impact of the current density on paramagnetic NMR properties

13 results in Authors: Yannick J. Franzke