Response-state Learning for Transferable Vibrational Spectroscopic Characterization with Electron Prior
Vibrational spectral prediction can become inaccurate when localized stereoelectronic environments perturb intermediate response states and high-risk response units dominate characteristic spectral fingerprints, making prediction across external chemical space difficult. SO(3) Equivariant Neural Kalman Networks (SENK)...
Ze-Tong Li, Zhuo-Song Xie, Heng-Yu Fan et al.
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