Julius B Stückrath (Julius B Kleine Büning)

Publication Activity (10 Years)

Years Active: 2020-2024
Publications (10 Years): 15

Top Topics

Machine Learning

Magnetic Resonance

Molecular Dynamics

Top Venues

Inorganic chemistry

Physical chemistry chemical physics : PCCP

Angewandte Chemie (International ed. in English)

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

Thomas Gasevic, Julius B Stückrath, Stefan Grimme, Markus Bursch
Benchmark Study on the Calculation of 207 Pb NMR Chemical Shifts. Inorganic chemistry 63 (11) (2024)
Julius B Stückrath, Stefan Grimme, Markus Bursch
Machine learning-based correction for spin-orbit coupling effects in NMR chemical shift calculations. Physical chemistry chemical physics : PCCP 26 (6) (2024)
Thomas Gasevic, Julius B Stückrath, Stefan Grimme, Markus Bursch
Benchmark Study on the Calculation of 207 Pb NMR Chemical Shifts. Inorganic chemistry (2024)
Julius B Stückrath, Stefan Grimme, Markus Bursch
Machine learning-based correction for spin-orbit coupling effects in NMR chemical shift calculations. Physical chemistry chemical physics : PCCP (2024)
Thomas Gasevic, Julius B Stückrath, Stefan Grimme, Markus Bursch
Benchmark Study on the Calculation of 207 Pb NMR Chemical Shifts. Inorganic chemistry 63 (11) (2024)
Thomas Gasevic, Julius B Stückrath, Stefan Grimme, Markus Bursch
Benchmark Study on the Calculation of 207 Pb NMR Chemical Shifts. Inorganic chemistry 63 (11) (2024)
Ettore Bartalucci, Alexander A Malär, Anne Mehnert, Julius B Stückrath, Lennart Günzel, Maik Icker, Martin Börner, Christian Wiebeler, Beat H Meier, Stefan Grimme, Berthold Kersting, Thomas Wiegand
Probing a Hydrogen-π Interaction Involving a Trapped Water Molecule in the Solid State. Angewandte Chemie (International ed. in English) (2023)
Julius B Stückrath, Stefan Grimme
Computation of CCSD(T)-Quality NMR Chemical Shifts via Δ-Machine Learning from DFT. Journal of chemical theory and computation (2023)
Ettore Bartalucci, Alexander A Malär, Anne Mehnert, Julius B Stückrath, Lennart Günzel, Maik Icker, Martin Börner, Christian Wiebeler, Beat H Meier, Stefan Grimme, Berthold Kersting, Thomas Wiegand
Probing a Hydrogen-π Interaction Involving a Trapped Water Molecule in the Solid State. Angewandte Chemie (International ed. in English) 62 (14) (2023)
Julius B Stückrath, Thomas Gasevic, Markus Bursch, Stefan Grimme
Benchmark Study on the Calculation of 119 Sn NMR Chemical Shifts. Inorganic chemistry 61 (9) (2022)
Thomas Gasevic, Julius B Stückrath, Stefan Grimme, Markus Bursch
Optimization of the r 2 SCAN-3c Composite Electronic-Structure Method for Use with Slater-Type Orbital Basis Sets. The journal of physical chemistry. A 126 (23) (2022)
Sreekanta Debnath, Marcel Jorewitz, Knut R Asmis, Fabian Müller, Julius B Stückrath, Florian A Bischoff, Joachim Sauer
Infrared photodissociation spectroscopy of (Al 2 O 3 ) 2-5 FeO + : influence of Fe-substitution on small alumina clusters. Physical chemistry chemical physics : PCCP 24 (35) (2022)
Julius B Stückrath, Florian A Bischoff
Reduction of Hartree-Fock Wavefunctions to Kohn-Sham Effective Potentials Using Multiresolution Analysis. Journal of chemical theory and computation 17 (3) (2021)
Markus Bursch, Thomas Gasevic, Julius B Stückrath, Stefan Grimme
Comprehensive Benchmark Study on the Calculation of 29Si NMR Chemical Shifts. Inorganic chemistry 60 (1) (2020)
Fabian Müller, Julius B Stückrath, Florian A Bischoff, Soumen Ghosh, Joachim Sauer, Sreekanta Debnath, Marcel Jorewitz, Knut R Asmis
Valence and Structure Isomerism of Al2FeO4+: Synergy of Spectroscopy and Quantum Chemistry. Journal of the American Chemical Society 142 (42) (2020)