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Markus Bursch

Showing results (1-10 of 54) with videos related to

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Inorganic Chemistry|October 6, 2017
Fast and Reasonable Geometry Optimization of Lanthanoid Complexes with an Extended Tight Binding Quantum Chemical MethodMarkus Bursch, Andreas Hansen, Stefan Grimme
The Journal of Physical Chemistry. A|July 24, 2025
Modified Opposite-Spin-Scaled Double-Hybrid FunctionalsGolokesh Santra, Markus Bursch, Lukas Wittmann
Angewandte Chemie (International Ed. in English)|May 30, 2019
Structure Optimisation of Large Transition-Metal Complexes with Extended Tight-Binding MethodsMarkus Bursch, Hagen Neugebauer, Stefan Grimme
Accounts of Chemical Research|December 15, 2023
Influence of Steric and Dispersion Interactions on the Thermochemistry of Crowded (Fluoro)alkyl CompoundsMarkus Bursch, Stefan Grimme, Andreas Hansen
Journal of Chemical Theory and Computation|February 20, 2020
Semiautomated Transition State Localization for Organometallic Complexes with Semiempirical Quantum Chemical MethodsSebastian Dohm, Markus Bursch, Andreas Hansen, et al.
Journal of Chemical Information and Modeling|January 18, 2024
Hybrid DFT Geometries and Properties for 17k Lanthanoid Complexes─The LnQM Data SetChristian Hölzer, Igor Gordiy, Stefan Grimme, et al.
Physical Chemistry Chemical Physics : PCCP|January 17, 2024
Machine learning-based correction for spin-orbit coupling effects in NMR chemical shift calculationsJulius B Kleine Büning, Stefan Grimme, Markus Bursch
The Journal of Chemical Physics|December 8, 2023
Dispersion-corrected r2SCAN based double-hybrid functionalsLukas Wittmann, Hagen Neugebauer, Stefan Grimme, et al.
Chemical Communications (Cambridge, England)|December 9, 2021
Quickstart guide to model structures and interactions of artificial molecular muscles with efficient computational methodsJulia Kohn, Sebastian Spicher, Markus Bursch, et al.
Journal of Computational Chemistry|April 26, 2022
Computational study of ground-state properties of μ<sub>2</sub> -bridged group 14 porphyrinic sandwich complexesJulia Kohn, Markus Bursch, Andreas Hansen, et al.
Pageof 6

Showing results (1-10 of 54) with videos related to

Sort By:
Pageof 6
Inorganic Chemistry|October 6, 2017
Fast and Reasonable Geometry Optimization of Lanthanoid Complexes with an Extended Tight Binding Quantum Chemical MethodMarkus Bursch, Andreas Hansen, Stefan Grimme
The Journal of Physical Chemistry. A|July 24, 2025
Modified Opposite-Spin-Scaled Double-Hybrid FunctionalsGolokesh Santra, Markus Bursch, Lukas Wittmann
Angewandte Chemie (International Ed. in English)|May 30, 2019
Structure Optimisation of Large Transition-Metal Complexes with Extended Tight-Binding MethodsMarkus Bursch, Hagen Neugebauer, Stefan Grimme
Accounts of Chemical Research|December 15, 2023
Influence of Steric and Dispersion Interactions on the Thermochemistry of Crowded (Fluoro)alkyl CompoundsMarkus Bursch, Stefan Grimme, Andreas Hansen
Journal of Chemical Theory and Computation|February 20, 2020
Semiautomated Transition State Localization for Organometallic Complexes with Semiempirical Quantum Chemical MethodsSebastian Dohm, Markus Bursch, Andreas Hansen, et al.
Journal of Chemical Information and Modeling|January 18, 2024
Hybrid DFT Geometries and Properties for 17k Lanthanoid Complexes─The LnQM Data SetChristian Hölzer, Igor Gordiy, Stefan Grimme, et al.
Physical Chemistry Chemical Physics : PCCP|January 17, 2024
Machine learning-based correction for spin-orbit coupling effects in NMR chemical shift calculationsJulius B Kleine Büning, Stefan Grimme, Markus Bursch
The Journal of Chemical Physics|December 8, 2023
Dispersion-corrected r2SCAN based double-hybrid functionalsLukas Wittmann, Hagen Neugebauer, Stefan Grimme, et al.
Chemical Communications (Cambridge, England)|December 9, 2021
Quickstart guide to model structures and interactions of artificial molecular muscles with efficient computational methodsJulia Kohn, Sebastian Spicher, Markus Bursch, et al.
Journal of Computational Chemistry|April 26, 2022
Computational study of ground-state properties of μ<sub>2</sub> -bridged group 14 porphyrinic sandwich complexesJulia Kohn, Markus Bursch, Andreas Hansen, et al.
Pageof 6