Michele Cascella
0000-0003-2266-5399
Hylleraas Centre for Quantum Molecular Sciences
3 papers found
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First-Principles Calculation of 1H NMR Chemical Shifts of Complex Metal Polyhydrides: The Essential Inclusion of Relativity and Dynamics
Four-component relativistic 31P NMR calculations for trans-platinum(ii) complexes: importance of the solvent and dynamics in spectral simulations
Biomembrane solubilization mechanism by Triton X-100: a computational study of the three stage model
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