News
News

Inter- and Intramoleculer Interactions

There are different ways one can study intermolecular interactions, either through macroscopic approaches (dielectric continuum solvent models) to microscopic approaches. Here are some examples to explore how this can be done with the AMS program suite, including ADF, DFTB, MM and QUILD.

Energy Decomposition Analysis (EDA)

Solvent effects

Multi-level schemes

Biological systems

members