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molecular dynamics

   Also found in: Acronyms, Wikipedia 0.01 sec.
molecular dynamics [mə′lek·yə·lər di′nam·iks]
(physical chemistry)
A branch of physical chemistry concerned with molecular mechanisms of the elementary physical and chemical processes that control rates of reaction.


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A variety of models for simulating carbon nanotubes have been proposed as yet but molecular simulation methods like molecular dynamics are very time-consuming and expensive despite their high precision.
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Chapters on Monte Carlo and molecular dynamics, the Gn models, transition states, and solvent models have been thoroughly re-written.
 
 
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