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Angewandte Chemie (International Ed. in English)
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November 17, 2022
Automated and Efficient Generation of General Molecular Aggregate Structures
Christoph Plett, Stefan Grimme
Journal of Computational Chemistry
|
November 20, 2023
Conformational energies of biomolecules in solution: Extending the MPCONF196 benchmark with explicit water molecules
Christoph Plett, Stefan Grimme, Andreas Hansen
Journal of Chemical Theory and Computation
|
September 11, 2024
Toward Reliable Conformational Energies of Amino Acids and Dipeptides─The DipCONFS Benchmark and DipCONL Datasets
Christoph Plett, Stefan Grimme, Andreas Hansen
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
June 3, 2025
Quantum Chemistry Based Simulation of Enantioseparation on Cyclodextrin- and Polysaccharide-Based Chiral Stationary Phases
Linda Nelles-Ziegler, Christoph Plett, Stefan Grimme
Journal of Chemical Theory and Computation
|
April 28, 2022
Automated Molecular Cluster Growing for Explicit Solvation by Efficient Force Field and Tight Binding Methods
Sebastian Spicher, Christoph Plett, Philipp Pracht, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 28, 2023
ONIOM meets <b></b>: efficient, accurate, and robust multi-layer simulations across the periodic table
Christoph Plett, Abylay Katbashev, Sebastian Ehlert, et al.
The Journal of Physical Chemistry Letters
|
February 26, 2024
Improving Quantum Chemical Solvation Models by Dynamic Radii Adjustment for Continuum Solvation (DRACO)
Christoph Plett, Marcel Stahn, Markus Bursch, et al.
Journal of Chemical Theory and Computation
|
March 26, 2026
ORCA Meets Python─The ORCA Python Interface OPI
Tim Tetenberg, Hagen Neugebauer, Christoph Plett, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
November 29, 2025
Supramolecular Host-Guest Complexation Dynamics by Cost-Efficient Electronic Structure Methods
Thomas Gasevic, Christoph Plett, Lukas Wittmann, et al.
The Journal of Physical Chemistry. A
|
February 27, 2025
Overview on Building Blocks and Applications of Efficient and Robust Extended Tight Binding
Abylay Katbashev, Marcel Stahn, Thomas Rose, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 13) with videos related to
Sort By:
Page
of 2
Angewandte Chemie (International Ed. in English)
|
November 17, 2022
Automated and Efficient Generation of General Molecular Aggregate Structures
Christoph Plett, Stefan Grimme
Journal of Computational Chemistry
|
November 20, 2023
Conformational energies of biomolecules in solution: Extending the MPCONF196 benchmark with explicit water molecules
Christoph Plett, Stefan Grimme, Andreas Hansen
Journal of Chemical Theory and Computation
|
September 11, 2024
Toward Reliable Conformational Energies of Amino Acids and Dipeptides─The DipCONFS Benchmark and DipCONL Datasets
Christoph Plett, Stefan Grimme, Andreas Hansen
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
June 3, 2025
Quantum Chemistry Based Simulation of Enantioseparation on Cyclodextrin- and Polysaccharide-Based Chiral Stationary Phases
Linda Nelles-Ziegler, Christoph Plett, Stefan Grimme
Journal of Chemical Theory and Computation
|
April 28, 2022
Automated Molecular Cluster Growing for Explicit Solvation by Efficient Force Field and Tight Binding Methods
Sebastian Spicher, Christoph Plett, Philipp Pracht, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 28, 2023
ONIOM meets <b></b>: efficient, accurate, and robust multi-layer simulations across the periodic table
Christoph Plett, Abylay Katbashev, Sebastian Ehlert, et al.
The Journal of Physical Chemistry Letters
|
February 26, 2024
Improving Quantum Chemical Solvation Models by Dynamic Radii Adjustment for Continuum Solvation (DRACO)
Christoph Plett, Marcel Stahn, Markus Bursch, et al.
Journal of Chemical Theory and Computation
|
March 26, 2026
ORCA Meets Python─The ORCA Python Interface OPI
Tim Tetenberg, Hagen Neugebauer, Christoph Plett, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
November 29, 2025
Supramolecular Host-Guest Complexation Dynamics by Cost-Efficient Electronic Structure Methods
Thomas Gasevic, Christoph Plett, Lukas Wittmann, et al.
The Journal of Physical Chemistry. A
|
February 27, 2025
Overview on Building Blocks and Applications of Efficient and Robust Extended Tight Binding
Abylay Katbashev, Marcel Stahn, Thomas Rose, et al.
Page
of 2