What do we need to do before we can simulate molecular motion? / Rob Whitnell | Observable

Professor of chemistry at Guilford College

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Force fields and molecular dynamics

How do we model the internal motions of a molecule? Stretching vibrations How do we model the internal motions of a molecule? Bending vibrations How do we model the internal motions of a molecule? Torsional vibrations How do we model the interactions between molecules (or between different parts of the same molecule)?

What do we need to do before we can simulate molecular motion?

Potential energy curves and minimization: A simple example

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