Markus Bursch

ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 48

Top Venues

Physical chemistry chemical physics : PCCP

Inorganic chemistry

Journal of the American Chemical Society

Journal of chemical information and modeling

Rheinische Friedrich Wilhelms Universität Bonn

Rheinische Friedrich Wilhelms Universität Bonn (PHD)

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

Affiliation History

Rheinische Friedrich Wilhelms Universität Bonn

Germany

Research associate :: Institut für Physikalische und Theoretische Chemie, Mulliken Center for Theoretical Chemistry

Education History

Rheinische Friedrich Wilhelms Universität Bonn

Germany

PHD :: Institut für Physikalische und Theoretische Chemie, Mulliken Center for Theoretical Chemistry

Rheinische Friedrich Wilhelms Universität Bonn

Germany

MSC :: Institut für Anorganische Chemie

Rheinische Friedrich Wilhelms Universität Bonn

Germany

BSC :: Institut für Anorganische Chemie

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)
Christian Hölzer, Igor Gordiy, Stefan Grimme, Markus Bursch
Hybrid DFT Geometries and Properties for 17k Lanthanoid Complexes─The LnQM Data Set. Journal of chemical information and modeling 64 (3) (2024)
Lukas Wittmann, Igor Gordiy, Marvin Friede, Benjamin Helmich-Paris, Stefan Grimme, Andreas Hansen, Markus Bursch
Extension of the D3 and D4 London dispersion corrections to the full actinides series. Physical chemistry chemical physics : PCCP 26 (32) (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)
Christoph Plett, Marcel Stahn, Markus Bursch, Jan-Michael Mewes, Stefan Grimme
Improving Quantum Chemical Solvation Models by Dynamic Radii Adjustment for Continuum Solvation (DRACO). The journal of physical chemistry letters (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)
Christoph Plett, Marcel Stahn, Markus Bursch, Jan-Michael Mewes, Stefan Grimme
Improving Quantum Chemical Solvation Models by Dynamic Radii Adjustment for Continuum Solvation (DRACO). The journal of physical chemistry letters 15 (9) (2024)
Christian Hölzer, Igor Gordiy, Stefan Grimme, Markus Bursch
Hybrid DFT Geometries and Properties for 17k Lanthanoid Complexes─The LnQM Data Set. Journal of chemical information and modeling (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)
Lukas Wittmann, Igor Gordiy, Marvin Friede, Benjamin Helmich-Paris, Stefan Grimme, Andreas Hansen, Markus Bursch
Extension of the D3 and D4 London dispersion corrections to the full actinides series. Physical chemistry chemical physics : PCCP (2024)
Christian Hölzer, Igor Gordiy, Stefan Grimme, Markus Bursch
Hybrid DFT Geometries and Properties for 17k Lanthanoid Complexes─The LnQM Data Set. Journal of chemical information and modeling 64 (3) (2024)
Thomas Gasevic, Markus Bursch, Qianli Ma, Stefan Grimme, Hans-Joachim Werner, Andreas Hansen
The p-block challenge: assessing quantum chemistry methods for inorganic heterocycle dimerizations. Physical chemistry chemical physics : PCCP (2024)
Thomas Gasevic, Markus Bursch, Qianli Ma, Stefan Grimme, Hans-Joachim Werner, Andreas Hansen
The p-block challenge: assessing quantum chemistry methods for inorganic heterocycle dimerizations. Physical chemistry chemical physics : PCCP 26 (18) (2024)
Christian Hölzer, Igor Gordiy, Stefan Grimme, Markus Bursch
Hybrid DFT Geometries and Properties for 17k Lanthanoid Complexes─The LnQM Data Set. Journal of chemical information and modeling 64 (3) (2024)
Christian Hölzer, Igor Gordiy, Stefan Grimme, Markus Bursch
Hybrid DFT Geometries and Properties for 17k Lanthanoid Complexes─The LnQM Data Set. Journal of chemical information and modeling 64 (3) (2024)
Marcel Bamberg, Thomas Gasevic, Michael Bolte, Alexander V Virovets, Hans-Wolfram Lerner, Stefan Grimme, Markus Bursch, Matthias Wagner
Brominated [20]silafulleranes: pushing the limits of steric loading. Chemical communications (Cambridge, England) (2023)
Hagen Neugebauer, Peter Pinski, Stefan Grimme, Frank Neese, Markus Bursch
Assessment of DLPNO-MP2 Approximations in Double-Hybrid DFT. Journal of chemical theory and computation (2023)
Markus Bursch, Stefan Grimme, Andreas Hansen
Influence of Steric and Dispersion Interactions on the Thermochemistry of Crowded (Fluoro)alkyl Compounds. Accounts of chemical research 57 (1) (2023)
Marcel Bamberg, Thomas Gasevic, Michael Bolte, Alexander V Virovets, Hans-Wolfram Lerner, Stefan Grimme, Markus Bursch, Matthias Wagner
Regioselective Derivatization of Silylated [20]Silafulleranes. Journal of the American Chemical Society (2023)
Christoph Plett, Abylay Katbashev, Sebastian Ehlert, Stefan Grimme, Markus Bursch
ONIOM meets xtb : efficient, accurate, and robust multi-layer simulations across the periodic table. Physical chemistry chemical physics : PCCP (2023)
Markus Bursch, Stefan Grimme, Andreas Hansen
Influence of Steric and Dispersion Interactions on the Thermochemistry of Crowded (Fluoro)alkyl Compounds. Accounts of chemical research (2023)
Christoph Plett, Abylay Katbashev, Sebastian Ehlert, Stefan Grimme, Markus Bursch
ONIOM meets xtb : efficient, accurate, and robust multi-layer simulations across the periodic table. Physical chemistry chemical physics : PCCP (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)
Julia Kohn, Markus Bursch, Andreas Hansen, Stefan Grimme
Computational study of ground-state properties of μ 2 -bridged group 14 porphyrinic sandwich complexes. Journal of computational chemistry (2022)
Markus Bursch, Jan-Michael Mewes, Andreas Hansen, Stefan Grimme
Best-Practice DFT Protocols for Basic Molecular Computational Chemistry. Angewandte Chemie (International ed. in English) 61 (42) (2022)
Julia Kohn, Sebastian Spicher, Markus Bursch, Stefan Grimme
Quickstart guide to model structures and interactions of artificial molecular muscles with efficient computational methods. Chemical communications (Cambridge, England) (2021)
Isabelle Georg, Markus Bursch, Burkhard Endeward, Michael Bolte, Hans-Wolfram Lerner, Stefan Grimme, Matthias Wagner
The power of trichlorosilylation: isolable trisilylated allyl anions, allyl radicals, and allenyl anions. Chemical science 12 (37) (2021)
Cary R Stennett, Markus Bursch, James C Fettinger, Stefan Grimme, Philip P Power
Designing a Solution-Stable Distannene: The Decisive Role of London Dispersion Effects in the Structure and Properties of {Sn(C 6 H 2 -2,4,6-Cy 3 ) 2 } 2 (Cy = Cyclohexyl). Journal of the American Chemical Society 143 (51) (2021)
Leonard R Maurer, Markus Bursch, Stefan Grimme, Andreas Hansen
Assessing Density Functional Theory for Chemically Relevant Open-Shell Transition Metal Reactions. Journal of chemical theory and computation 17 (10) (2021)
Marcel Bamberg, Markus Bursch, Andreas Hansen, Matthias Brandl, Gabriele Sentis, Lukas Kunze, Michael Bolte, Hans-Wolfram Lerner, Stefan Grimme, Matthias Wagner
[Cl@Si20H20]-: Parent Siladodecahedrane with Endohedral Chloride Ion. Journal of the American Chemical Society 143 (29) (2021)
Tristan J Keller, Christopher Sterzenbach, Joshua Bahr, Taria L Schneiders, Markus Bursch, Julia Kohn, Theresa Eder, John M Lupton, Stefan Grimme, Sigurd Höger, Stefan-S Jester
Nanopatterns of molecular spoked wheels as giant homologues of benzene tricarboxylic acids. Chemical science 12 (27) (2021)
Markus Bursch, Lukas Kunze, Amol M Vibhute, Andreas Hansen, Kana M Sureshan, Peter G Jones, Stefan Grimme, Daniel B Werz
Quantification of Noncovalent Interactions in Azide-Pnictogen, -Chalcogen, and -Halogen Contacts. Chemistry (Weinheim an der Bergstrasse, Germany) 27 (14) (2021)
Isabelle Georg, Markus Bursch, Julius B Stückrath, Edith Alig, Michael Bolte, Hans-Wolfram Lerner, Stefan Grimme, Matthias Wagner
Building up Strain in One Step: Synthesis of an Edge-Fused Double Silacyclobutene from an Extensively Trichlorosilylated Butadiene Dianion. Angewandte Chemie (International ed. in English) 59 (37) (2020)
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)
Alexander S Scholz, Julian G Massoth, Markus Bursch, Jan-M Mewes, Thilo Hetzke, Bernd Wolf, Michael Bolte, Hans-Wolfram Lerner, Stefan Grimme, Matthias Wagner
BNB-Doped Phenalenyls: Modular Synthesis, Optoelectronic Properties, and One-Electron Reduction. Journal of the American Chemical Society 142 (25) (2020)
Hagen Neugebauer, Fabian Bohle, Markus Bursch, Andreas Hansen, Stefan Grimme
Benchmark Study of Electrochemical Redox Potentials Calculated with Semiempirical and DFT Methods. The journal of physical chemistry. A 124 (35) (2020)
Sebastian Dohm, Markus Bursch, Andreas Hansen, Stefan Grimme
Semiautomated Transition State Localization for Organometallic Complexes with Semiempirical Quantum Chemical Methods. Journal of chemical theory and computation 16 (3) (2020)
Tobias A Schaub, Ephraim A Prantl, Julia Kohn, Markus Bursch, Checkers R Marshall, Erik J Leonhardt, Terri C Lovell, Lev N Zakharov, Carl K Brozek, Siegfried R Waldvogel, Stefan Grimme, Ramesh Jasti
Exploration of the Solid-State Sorption Properties of Shape-Persistent Macrocyclic Nanocarbons as Bulk Materials and Small Aggregates. Journal of the American Chemical Society 142 (19) (2020)
Markus Bursch, Hagen Neugebauer, Stefan Grimme
Structure Optimisation of Large Transition-Metal Complexes with Extended Tight-Binding Methods. Angewandte Chemie (International ed. in English) 58 (32) (2019)
Joshua D Queen, Markus Bursch, Jakob Seibert, Leonard R Maurer, Bobby D Ellis, James C Fettinger, Stefan Grimme, Philip P Power
Isolation and Computational Studies of a Series of Terphenyl Substituted Diplumbynes with Ligand Dependent Lead-Lead Multiple-Bonding Character. Journal of the American Chemical Society 141 (36) (2019)
Markus Bursch, Eike Caldeweyher, Andreas Hansen, Hagen Neugebauer, Sebastian Ehlert, Sebastian Ehlert
Understanding and Quantifying London Dispersion Effects in Organometallic Complexes. Accounts of chemical research 52 (1) (2018)
Ke-Yin Ye, Markus Bursch, Zheng-Wang Qu, Constantin G Daniliuc, Stefan Grimme, Gerald Kehr, Gerhard Erker
Reversible formylborane/SO2 coupling at a frustrated Lewis pair framework. Chemical communications (Cambridge, England) 53 (3) (2017)
Daniel Zell, Valentin Müller, Uttam Dhawa, Markus Bursch, Rubén Rubio Presa, Stefan Grimme, Harry L Anderson
Mild Cobalt(III)-Catalyzed Allylative C-F/C-H Functionalizations at Room Temperature. Chemistry (Weinheim an der Bergstrasse, Germany) 23 (50) (2017)
Daniel Zell, Markus Bursch, Valentin Müller, Stefan Grimme, Harry L Anderson
Full Selectivity Control in Cobalt(III)-Catalyzed C-H Alkylations by Switching of the C-H Activation Mechanism. Angewandte Chemie (International ed. in English) 56 (35) (2017)
Guo-Qiang Chen, Gerald Kehr, Constantin G Daniliuc, Markus Bursch, Stefan Grimme, Gerhard Erker
Intermolecular Redox-Neutral Amine C-H Functionalization Induced by the Strong Boron Lewis Acid B(C6 F5 )3 in the Frustrated Lewis Pair Regime. Chemistry (Weinheim an der Bergstrasse, Germany) 23 (19) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Markus Bursch