Fully automatic assignment of small molecules' NMR spectra without relying on chemical shift predictions

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Solid-state NMR spectroscopy is a well-established method to obtain atomic-level information about the structure of inorganic materials, but its use is often limited by low sensitivity. We review how solvent generated dynamic nuclear polarization can be us ...

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Knowledge of the structure of amorphous solids can direct, for example, the optimization of pharmaceutical formulations, but atomic-level structure determination in amorphous molecular solids has so far not been possible. Solid-state nuclear magnetic reson ...

Solid-state nuclear magnetic resonance under magic angle spinning (MAS) enhanced with dynamic nuclear polarization (DNP) is a powerful approach to characterize many important classes of materials, allowing access to previously inaccessible structural and d ...

Solid-state NMR spectroscopy is a widely used method for investigating structural and electronic properties of inorganic materials, but its use is often limited by low sensitivity. Here, we show how solvent-generated dynamic nuclear polarization can be use ...

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Wasserstein balls, which contain all probability measures within a pre-specified Wasserstein distance to a reference measure, have recently enjoyed wide popularity in the distributionally robust optimization and machine learning communities to formulate an ...

We present a(1)H NMR investigation of spin dynamics in two finite integer spin molecular nanomagnetic rings, namely V7Zn and V7Ni. This study could be put in correlation with the problem of Haldane gap in infinite integer spin chains. While V7Zn is an appr ...

Fully automatic assignment of small molecules' NMR spectra without relying on chemical shift predictions

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