Publications by authors named "Fabian Mack"

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TURBOMOLE: Today and Tomorrow.
Yannick J Franzke, Christof Holzer, Josefine H Andersen, Tomislav Begušić, Florian Bruder, Fabian Mack

J Chem Theory Comput· October 2023

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NMR Coupling Constants Based on the Bethe-Salpeter Equation in the Approximation.
Yannick J Franzke, Christof Holzer, Fabian Mack

J Chem Theory Comput· February 2022

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Highly Soluble Supertetrahedra upon Selective Partial Butylation of Chalcogenido Metalate Clusters in Ionic Liquids.
Bertram Peters, Gina Stuhrmann, Fabian Mack, Florian Weigend, Stefanie Dehnen

Angew Chem Int Ed Engl· August 2021

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NMR Indirect Spin-Spin Coupling Constants in a Modern Quasi-Relativistic Density Functional Framework.
Yannick J Franzke, Fabian Mack, Florian Weigend

J Chem Theory Comput· July 2021

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Nuclear Spin-Spin Couplings: Efficient Evaluation of Exact Exchange and Extension to Local Hybrid Functionals.
Fabian Mack, Caspar J Schattenberg, Martin Kaupp, Florian Weigend

J Phys Chem A· October 2020

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TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations.
Sree Ganesh Balasubramani, Guo P Chen, Sonia Coriani, Michael Diedenhofen, Marius S Frank, Fabian Mack

J Chem Phys· May 2020

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Tuning the Metal/Chalcogen Composition in Copper(I)-Chalcogenide Clusters with Cyclic (Alkyl)(amino)carbene Ligands.
Alexander M Polgar, Angel Zhang, Fabian Mack, Florian Weigend, Sergei Lebedkin

Inorg Chem· March 2019

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Calculation of Magnetic Shielding Constants with meta-GGA Functionals Employing the Multipole-Accelerated Resolution of the Identity: Implementation and Assessment of Accuracy and Efficiency.
Kevin Reiter, Fabian Mack, Florian Weigend

J Chem Theory Comput· January 2018

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