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Spectral Simulation Project

Spectral Simulation Project

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Published by Josiah Bjorgaard

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Categories:Types, Research, Science
Published by: Josiah Bjorgaard on Jan 09, 2013
Copyright:Attribution Non-commercial

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01/09/2013

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Terthiophene Dihedral Scan
20 40 60 80 100 120 140 160 180
E (eV)
0.000.010.020.030.040.050.060.07
Boltzmann Population
0.000.020.040.060.080.100.120.140.16Tetramer(Gas)Tetramer(CHCl3)Hexamer(Gas)
Boltzmann Population for Tetramer (Gas)
Initial Structures for Molecular Morphologies
Φ
 
) / exp() / exp(
k E k E P
   
 
For thermodynamic equilibrium
 
Examples of Polymer Conformations
 
Transition Densities

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