Christoph Jacob
Technische Universität Braunschweig
H-index: 42
Europe-Germany
Top articles of Christoph Jacob
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Biocatalytic Ether Lipid Synthesis by an Archaeal Glycerolprenylase | Felix Kaspar Lea Eilert Sophie Staar Sangwar Wadtey Oung Mario Wolter | 2024/2/14 | |
Subsystem density‐functional theory (update) | Christoph R Jacob Johannes Neugebauer | 2024/1 | |
Nucleoside Phosphorylases make N7-xanthosine | Nature Communications | Sarah Westarp Felix Brandt Lena Neumair Christina Betz Amin Dagane | 2024/4/29 |
Interoperable workflows by exchanging grid-based data between quantum-chemical program packages | arXiv preprint arXiv:2401.17925 | Kevin Focke Matteo De Santis Mario Wolter Valérie Vallet André Severo Pereira Gomes | 2024/1/31 |
Einseitige Borat‐Veresterung während enzymatischer Nukleosid‐phosphorolyse: Scheinbare Gleichgewichtsverschiebungen und kinetische Auswirkungen | Angewandte Chemie | Felix Kaspar Felix Brandt Sarah Westarp Lea Eilert Sebastian Kemper | 2023/5/8 |
Biased Borate Esterification during Nucleoside Phosphorylase‐Catalyzed Reactions: Apparent Equilibrium Shifts and Kinetic Implications | Angewandte Chemie International Edition | Felix Kaspar Felix Brandt Sarah Westarp Lea Eilert Sebastian Kemper | 2023/5/8 |
Protein network centralities as descriptor for QM region construction in QM/MM simulations of enzymes | Physical Chemistry Chemical Physics | Felix Brandt Christoph R Jacob | 2023 |
Coupled-Cluster Density-Based Many-Body Expansion | The Journal of Physical Chemistry A | Kevin Focke Christoph R Jacob | 2023/10/23 |
Accurate quantum-chemical fragmentation calculations for ion–water clusters with the density-based many-body expansion | Physical Chemistry Chemical Physics | Stefanie Schürmann Johannes R Vornweg Mario Wolter Christoph R Jacob | 2023 |
Structural Dependence of Extended Amide III Vibrations in Two-Dimensional Infrared Spectra | Julia Brüggemann Maria Chekmeneva Mario Wolter Christoph Jacob | 2023/7/5 | |
Efficient automatic construction of atom-economical QM regions with point-charge variation analysis | Physical Chemistry Chemical Physics | Felix Brandt Christoph R Jacob | 2023 |
A simple and consistent quantum‐chemical fragmentation scheme for proteins that includes two‐body contributions | Journal of Computational Chemistry | Johannes R Vornweg Mario Wolter Christoph R Jacob | 2023/7/5 |
Quantum-chemical calculation of two-dimensional infrared spectra using localized-mode VSCF/VCI | The Journal of Chemical Physics | Julia Brüggemann Mario Wolter Christoph R Jacob | 2022/12/28 |
Systematic QM Region Construction in QM/MM Calculations Based on Uncertainty Quantification | Journal of Chemical Theory and Computation | Felix Brandt Christoph R Jacob | 2022/3/10 |
SURESOFT: Towards Sustainable Research Software | Christopher Blech Nils Dreyer Matthias Friebel Christoph Jacob Mostafa Shamil Jassim | 2022 | |
Systematic partitioning of proteins for quantum-chemical fragmentation methods using graph algorithms | Journal of Chemical Theory and Computation | Mario Wolter Moritz von Looz Henning Meyerhenke Christoph R Jacob | 2021/2/16 |
Electrocatalytic Activation of Donor–Acceptor Cyclopropanes and Cyclobutanes: An Alternative C(sp3)−C(sp3) Cleavage Mode | Angewandte Chemie International Edition | Simon Kolb Martin Petzold Felix Brandt Peter G Jones Christoph R Jacob | 2021/7/12 |
Density-Based Many-Body Expansion as an Efficient and Accurate Quantum-Chemical Fragmentation Method: Application to Water Clusters | Journal of Chemical Theory and Computation | Daniel Schmitt-Monreal Christoph R Jacob | 2021/7/1 |
Frozen‐density embedding‐based many‐body expansions | International Journal of Quantum Chemistry | Daniel Schmitt‐Monreal Christoph R Jacob | 2020/11/1 |
Towards theoretical spectroscopy with error bars: systematic quantification of the structural sensitivity of calculated spectra | Chemical Science | Tobias G Bergmann Michael O Welzel Christoph R Jacob | 2020 |
Co-Authors
