Effect of pressure on pedal motion in stilbene molecular crystals and its dependence on the crystallographic site
Article Abstract:
Computer simulation of a stilbene molecular crystal as a fucntion of pressure up to 4 GPa is reported. Molecular structure and the crystal structure of stilbene are characterized by calculating the radial distribution function and dihedral angle distribution, features associated with pedal motion and cell parameters.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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Detailed molecular model of dielectric constant of multicomponent, associating liquids
Article Abstract:
A new theory for relating the dielectric constant to the internal structure of association fluids containing any number of associating components, the molecules of which may posses any number of electronrich and electron-deficient sites is proposed.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
User Contributions:
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