Introduction to Molecular Mechanics Part 2: Nonbonded Terms

We continue our introduction to molecular mechanics, moving on to the non-bonded terms (van der Waals and electrostatics)

[@eversongomes5751]

Thank you, professor.

[@moyassarmeshhal6696]

Very happy to watch more of your lectures. Many thanks, professor.

[@cuzamangelique2673]

I have a question: please show that the Van der Waals potential has attactive term proportional to 1/r^6 where r is the separation distance of the interacting molecules.

[@potatohead7857]

When two molecules/atoms are very close and the interaction energy between them is zero at this point the two molecules/atom behave like single entity or not?

[@DavidSherrill1]

Normally, the interaction gets stronger and stronger as atoms/molecules get closer and closer. Dispersion and electrostatics get more and more attractive, while exchange repulsion gets more and more repulsive. Exchange repulsion eventually becomes the dominant term and overall the interaction is repulsive at very short distances. Chemistry can't really model atoms literally smashing into each other and occupying the same volume --- this becomes a nuclear physics problem. In some cases in principle you could get fusion. But practically speaking, nearly always the atoms/molecules would find a way to bounce off each other and avoid the repulsive interaction.

[@JeffMTX]

18:00 slide dialectrics, fwiw:) 27:00, further -> farther?