Dear Everyone,
Our chemistry group is designing a new type of polymer.
In order to design a suitable condition for polymerization, I am wondering if I can use MD (Lammps) to obtain the resonant frequency of a given molecular structure?
Any comments and ideas are appreciated,
Thank you,
Lili Zhang
Dear Everyone,
Our chemistry group is designing a new type of polymer.
In order to design a suitable condition for polymerization, I am wondering
if I can use MD (Lammps) to obtain the resonant frequency of a given
molecular structure?
what is a "resonant frequency"?
axel.
Hi,
Maybe a resonant frequency means a perturbation to the atom that is caused by an external source, as example light interaction with matter (Raman spectroscopy?).
I love to guess what other people are thinking … !
PS : All information in regard vibration can be found via the density of state, vibration is related to different thermodynamics properties. Am , My Sknowledge in solid State physics ts terrible I dont know how was able to pass the class.
I FOUND A GOOD REFERENCE :
http://polymer.apphy.u-fukui.ac.jp/~kuzuu/GroupInside/NKPapers/Papers/34SiO2VibrationSurface.pdf
A Salute
Oscar G.