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Papers matching “quantum computing simulation”
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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
2 results