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Papers matching “force fields” 3

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Dissociation behavior of photocatalyst-substrate complexes investigated with quantum mechanically derived force-fields
2026 ChemRxiv preprint Chemistry Photochemistry and Electron Transfer Studies Open access

Gereon Feldmann, Christoph Bannwarth

0

citations
Time-resolved investigation of photocatalytic allene deracemization with kinetic modeling and force-field-based molecular dynamics
2026 ChemRxiv preprint Chemistry Photochemistry and Electron Transfer Studies Open access

Gereon Feldmann, Christoph Bannwarth

0

citations
CGCompiler: Automated coarse-grained molecule parameterization via noise-resistant mixed-variable optimization
2023 ChemRxiv preprint Chemistry Advanced Physical and Chemical Molecular Interactions Open access

Kai Steffen Stroh, Paulo C. T. Souza, Luca Monticelli, Herre Jelger Risselada

1

citations

3 results