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Journal of Chemical Theory and Computation|May 20, 2020
Orbital Alignment for Accurate Projection-Based Embedding Calculations along Reaction PathsMoritz Bensberg, Johannes NeugebauerPhysical Chemistry Chemical Physics : PCCP|November 17, 2020
Density functional theory based embedding approaches for transition-metal complexesMoritz Bensberg, Johannes NeugebauerThe Journal of Chemical Physics|August 13, 2022
Orbital pair selection for relative energies in the domain-based local pair natural orbital coupled-cluster methodMoritz Bensberg, Johannes NeugebauerThe Journal of Chemical Physics|May 17, 2019
Automatic basis-set adaptation in projection-based embeddingMoritz Bensberg, Johannes NeugebauerThe Journal of Chemical Physics|December 16, 2021
Direct orbital selection within the domain-based local pair natural orbital coupled-cluster methodMoritz Bensberg, Johannes NeugebauerThe Journal of Chemical Physics|June 10, 2019
Direct orbital selection for projection-based embeddingMoritz Bensberg, Johannes NeugebauerPhysical Chemistry Chemical Physics : PCCP|January 20, 2023
On the accuracy of orbital based multi-level approaches for closed-shell transition metal chemistryZohreh Amanollahi, Lukas Lampe, Moritz Bensberg, et al.Journal of Chemical Theory and Computation|January 5, 2022
Solvation Free Energies in Subsystem Density Functional TheoryMoritz Bensberg, Paul L Türtscher, Jan P Unsleber, et al.The Journal of Physical Chemistry. A|May 24, 2024
Uncertainty-Aware First-Principles Exploration of Chemical Reaction NetworksMoritz Bensberg, Markus ReiherThe Journal of Physical Chemistry Letters|February 21, 2023
Corresponding Active Orbital Spaces along Chemical Reaction PathsMoritz Bensberg, Markus ReiherPageof 17