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Journal of Chemical Theory and Computation
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May 20, 2020
Orbital Alignment for Accurate Projection-Based Embedding Calculations along Reaction Paths
Moritz Bensberg, Johannes Neugebauer
Physical Chemistry Chemical Physics : PCCP
|
November 17, 2020
Density functional theory based embedding approaches for transition-metal complexes
Moritz Bensberg, Johannes Neugebauer
The Journal of Chemical Physics
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August 13, 2022
Orbital pair selection for relative energies in the domain-based local pair natural orbital coupled-cluster method
Moritz Bensberg, Johannes Neugebauer
The Journal of Physical Chemistry. A
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May 24, 2024
Uncertainty-Aware First-Principles Exploration of Chemical Reaction Networks
Moritz Bensberg, Markus Reiher
The Journal of Chemical Physics
|
May 17, 2019
Automatic basis-set adaptation in projection-based embedding
Moritz Bensberg, Johannes Neugebauer
The Journal of Chemical Physics
|
October 10, 2019
Erratum: "Automatic basis-set adaptation in projection-based embedding" [J. Chem. Phys. 150, 184104 (2019)]
Moritz Bensberg, Johannes Neugebauer
The Journal of Chemical Physics
|
December 16, 2021
Direct orbital selection within the domain-based local pair natural orbital coupled-cluster method
Moritz Bensberg, Johannes Neugebauer
The Journal of Chemical Physics
|
June 10, 2019
Direct orbital selection for projection-based embedding
Moritz Bensberg, Johannes Neugebauer
The Journal of Physical Chemistry Letters
|
February 21, 2023
Corresponding Active Orbital Spaces along Chemical Reaction Paths
Moritz Bensberg, Markus Reiher
Physical Chemistry Chemical Physics : PCCP
|
January 20, 2023
On the accuracy of orbital based multi-level approaches for closed-shell transition metal chemistry
Zohreh Amanollahi, Lukas Lampe, Moritz Bensberg, et al.
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Search research articles
Search
Showing results (1-10 of 17) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
May 20, 2020
Orbital Alignment for Accurate Projection-Based Embedding Calculations along Reaction Paths
Moritz Bensberg, Johannes Neugebauer
Physical Chemistry Chemical Physics : PCCP
|
November 17, 2020
Density functional theory based embedding approaches for transition-metal complexes
Moritz Bensberg, Johannes Neugebauer
The Journal of Chemical Physics
|
August 13, 2022
Orbital pair selection for relative energies in the domain-based local pair natural orbital coupled-cluster method
Moritz Bensberg, Johannes Neugebauer
The Journal of Physical Chemistry. A
|
May 24, 2024
Uncertainty-Aware First-Principles Exploration of Chemical Reaction Networks
Moritz Bensberg, Markus Reiher
The Journal of Chemical Physics
|
May 17, 2019
Automatic basis-set adaptation in projection-based embedding
Moritz Bensberg, Johannes Neugebauer
The Journal of Chemical Physics
|
October 10, 2019
Erratum: "Automatic basis-set adaptation in projection-based embedding" [J. Chem. Phys. 150, 184104 (2019)]
Moritz Bensberg, Johannes Neugebauer
The Journal of Chemical Physics
|
December 16, 2021
Direct orbital selection within the domain-based local pair natural orbital coupled-cluster method
Moritz Bensberg, Johannes Neugebauer
The Journal of Chemical Physics
|
June 10, 2019
Direct orbital selection for projection-based embedding
Moritz Bensberg, Johannes Neugebauer
The Journal of Physical Chemistry Letters
|
February 21, 2023
Corresponding Active Orbital Spaces along Chemical Reaction Paths
Moritz Bensberg, Markus Reiher
Physical Chemistry Chemical Physics : PCCP
|
January 20, 2023
On the accuracy of orbital based multi-level approaches for closed-shell transition metal chemistry
Zohreh Amanollahi, Lukas Lampe, Moritz Bensberg, et al.
Page
of 2