optical models constructed thought ML clustering of DFT
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Quantitative and bond-traceable resonant X-ray optical tensors of organic molecules
Paper • 2509.01734 • Published • 2 -
CuPc Optical Model
🧪1CuPc NEXAFS tensors, DFT sticks, clustering demo
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ZnPc Optical Model
🧪1ZnPc NEXAFS tensors, DFT sticks, clustering demo
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carbon-lab/optical-znpc
Other • Updated