Vibrational Properties and Energy Transport in Acetanilide by Molecular Dynamics
to set up molecular models of the interactions present in the real crystal, simple but sufficient to elucidate the degrees of freedom involved in some relevant nonlinear effects;
to explore the occurence of a stochastic transition, also to be related to peculiarities of the ACN dynamics;
to study the transport of energy along chains of ACN molecules.
KeywordsPower Spectrum Vibrational Property Peptide Group Regular Motion Stochastic Transition
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