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pyEF: A Python Framework for QM and QM/MM Atom-Wise Electric Field Analysis. [PDF]
J Chem Theory ComputManetsch MT +3 more
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Best Practices in Structural Ensemble Analysis: Avoiding Pitfalls, Interpreting Results, and Automating Workflows with EnsembleFlex. [PDF]
Curr ProtocSchneider M, Marquez JA, Leach AR.
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Learning potential energy surfaces of hydrogen atom transfer reactions in peptides.
Digit DiscovNeubert M +3 more
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Nature Materials, 2021
The processes of metallic asperities moving across each other, which are decisive in most machinery, have been visualized at the atomic scale, revealing unexpected behaviour especially when under tensile stress.
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The processes of metallic asperities moving across each other, which are decisive in most machinery, have been visualized at the atomic scale, revealing unexpected behaviour especially when under tensile stress.
openaire +2 more sources
Nano Letters, 2023
Direct-write processes enable the alteration or deposition of materials in a continuous, directable, sequential fashion. In this work, we demonstrate an electron beam direct-write process in an aberration-corrected scanning transmission electron microscope.
Ondrej Dyck +2 more
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Direct-write processes enable the alteration or deposition of materials in a continuous, directable, sequential fashion. In this work, we demonstrate an electron beam direct-write process in an aberration-corrected scanning transmission electron microscope.
Ondrej Dyck +2 more
openaire +2 more sources