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Journal of Chemical Theory and Computation
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October 20, 2023
Assessment of DLPNO-MP2 Approximations in Double-Hybrid DFT
Hagen Neugebauer, Peter Pinski, Stefan Grimme, 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.
Angewandte Chemie (International Ed. in English)
|
June 22, 2017
Full Selectivity Control in Cobalt(III)-Catalyzed C-H Alkylations by Switching of the C-H Activation Mechanism
Daniel Zell, Markus Bursch, Valentin Müller, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 18, 2020
Theoretical study on conformational energies of transition metal complexes
Markus Bursch, Andreas Hansen, Philipp Pracht, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
January 18, 2021
Hydrogenation of Secondary Amides using Phosphane Oxide and Frustrated Lewis Pair Catalysis
Laura Köring, Nikolai A Sitte, Markus Bursch, 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.
Angewandte Chemie (International Ed. in English)
|
September 20, 2018
Electrophilic Phosphonium Cation-Mediated Phosphane Oxide Reduction Using Oxalyl Chloride and Hydrogen
Arne J Stepen, Markus Bursch, Stefan Grimme, 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.
Accounts of Chemical Research
|
December 27, 2018
Understanding and Quantifying London Dispersion Effects in Organometallic Complexes
Markus Bursch, Eike Caldeweyher, Andreas Hansen, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 4, 2025
Correction: The p-block challenge: assessing quantum chemistry methods for inorganic heterocycle dimerizations
Thomas Gasevic, Markus Bursch, Qianli Ma, et al.
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of 6
Search research articles
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Showing results (21-30 of 54) with videos related to
Sort By:
Page
of 6
Journal of Chemical Theory and Computation
|
October 20, 2023
Assessment of DLPNO-MP2 Approximations in Double-Hybrid DFT
Hagen Neugebauer, Peter Pinski, Stefan Grimme, 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.
Angewandte Chemie (International Ed. in English)
|
June 22, 2017
Full Selectivity Control in Cobalt(III)-Catalyzed C-H Alkylations by Switching of the C-H Activation Mechanism
Daniel Zell, Markus Bursch, Valentin Müller, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 18, 2020
Theoretical study on conformational energies of transition metal complexes
Markus Bursch, Andreas Hansen, Philipp Pracht, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
January 18, 2021
Hydrogenation of Secondary Amides using Phosphane Oxide and Frustrated Lewis Pair Catalysis
Laura Köring, Nikolai A Sitte, Markus Bursch, 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.
Angewandte Chemie (International Ed. in English)
|
September 20, 2018
Electrophilic Phosphonium Cation-Mediated Phosphane Oxide Reduction Using Oxalyl Chloride and Hydrogen
Arne J Stepen, Markus Bursch, Stefan Grimme, 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.
Accounts of Chemical Research
|
December 27, 2018
Understanding and Quantifying London Dispersion Effects in Organometallic Complexes
Markus Bursch, Eike Caldeweyher, Andreas Hansen, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 4, 2025
Correction: The p-block challenge: assessing quantum chemistry methods for inorganic heterocycle dimerizations
Thomas Gasevic, Markus Bursch, Qianli Ma, et al.
Page
of 6