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12 results in Authors: Yannick J. Franzke

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

277

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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

584

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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

209

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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

162

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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

116

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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

180

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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

102

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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

302

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Theoretical and Computational Chemistry

Working Paper

Beyond Electrons: Correlation and Self-Energy in Multicomponent Density Functional Theory

Christof Holzer, Yannick J. Franzke

Version 2 posted 16 February 2024

207

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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

306

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

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

Hyperfine Coupling Constants in Local Exact Two-Component Theory

A Local Hybrid Exchange Functional Approximation from First Principles

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

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

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

Impact of the current density on paramagnetic NMR properties

Current density functional framework for spin–orbit coupling

Beyond Electrons: Correlation and Self-Energy in Multicomponent Density Functional Theory

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

12 results in Authors: Yannick J. Franzke