We have added computational examples for NMR (nuclear magnetic resonance) spectra, dielectric-constant and viscosity calculations for organic electrolytes using quantum-mechanical (QM) and molecular-dynamics (MD) calculations, and adhesion-energy evaluation of polymers—polymethacrylates with aromatic side chains—using MD calculations.

Our Technical Notes (Computational Examples) introduce practical computational approaches for corporate researchers and experimental chemists. They present accessible examples and explanations of computational methods that can be applied to ongoing research.

We will continue to expand this content. Please let us know if there are computational examples or other topics you would like us to cover.