Emulator-based component analysis decomposes structural sources of variance in simulated UV-vis spectra of ethanolic trans-azobenzene and flags overrepresented geometries after wavelength-specific photoexcitation.
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Structural Decomposition of UV--Visible Spectral Variation: Azobenzene in Ethanol Solution
Emulator-based component analysis decomposes structural sources of variance in simulated UV-vis spectra of ethanolic trans-azobenzene and flags overrepresented geometries after wavelength-specific photoexcitation.