Ar. George et al., SURFACE STRUCTURAL-PROPERTIES OF CRYSTALLINE S-TRIAZINE - A COMPUTATIONAL INVESTIGATION, Molecular simulation, 15(2), 1995, pp. 65-78
This paper considers the surface structural properties and crystal mor
phology of crystalline s-triazine. A key feature of the computational
approach adopted is the consideration of surface structural relaxation
of the uppermost section of the crystal and the use of non-rigid mole
cules. Crystal morphologies calculated on the basis of surface energie
s and attachment energies are considered.