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Rob Whitnell
Professor of chemistry at Guilford College
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Rob Whitnell
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How do we model the internal motions of a molecule? Stretching vibrations
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NCAPP 2023
Potential energy curves and minimization: A simple example
What do we need to do before we can simulate molecular motion?
How do we model the interactions between molecules (or between different parts of the same molecule)?
How do we model the internal motions of a molecule? Stretching vibrations
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Force fields and molecular dynamics