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Exact Two-Component Theory

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2 results in Keywords: Exact Two-Component Theory

Theoretical and Computational Chemistry

Quasi-Relativistic Calculation of EPR g-Tensors with Derivatives of the Decoupling Transformation, Gauge-Including Atomic Orbitals, and Magnetic Balance

Yannick J. Franzke, Jason M. Yu

Version 1 posted 22 November 2021

486

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1

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Theoretical and Computational Chemistry

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

215

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