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Department of Chemistry and The PULSE Institute, Stanford University, Stanford, California 94305, United States, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, United States
Stanford HAI1
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Blind predictions of cyclobutanone photochemistry reveal that nonadiabatic molecular dynamics can qualitatively capture experimental results, but the accuracy of underlying electronic structure calculations remains a key bottleneck.
