Chemo-physical properties ...

Via ab initio molecule dynamic, detailed statements about the structure of molecules as well as their interaction with other materials can be made. In this way, chemical reactions can be described and understood virtually by computers.

Utilities are for example in the fields of surface coating, dissolubility processes or polymere synthesis.

These figures show three process steps of a chemical reaction between a metal surface and a molecule.

molecule reacting with a surface
from left to right:<br>Step 1: Molecule approaches the surface,<br>Step 2: Reaction and dissociation of the molecule on the surface,<br>Step 3: parts of the molecule bond to the surface - others stay in the gaseous phase

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Interest / Questions ...

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