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6. Results analysis
6.1 Dynamic properties
Being able to reveal the dynamics of polymers is a major contribution of simulation. In fact, it is rare for experiments to provide access to the microscopic detail of molecular movements resulting from relaxation phenomena. The purpose of correlation functions is to account for such processes. Fluctuations in various properties extracted from a dynamics allow access to properties that could only be accessible in the thermodynamic limit.
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Bibliography
- (1) - - https://www.nobelprize.org/nobel_prizes/chemistry/laureates/2013/ .
- (2) - JENSEN (F.) - Introduction to Computational Chemistry Computational...
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