Journal of chemical information and modelingPhotonsPhotochemical ProcessesMachine LearningQuantum TheoryIsomerism
Chemical Space of Molecular Nanomotors: Optimizing Photochemical Properties for One- and Two-Photon Applications.
Alexander Javier Mielke, Alexander Scrimgeour, Enrico Tapavicza
Published: 202510.1021/acs.jcim.5c02307
Abstract
Light-driven molecular nanomotors hold promise for applications in materials science and biomedicine. Significant efforts have focused on improving their efficiency, often targeting single candidate molecules. Here, we present a systematic, data-driv…
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