Overview of modern computational methods in the research of advanced materials from bulk crystals to nanoscale structures
Conference Title: The 28th Molecular Modeling Workshop 2014
Date and Places: Erlangen, Germany, 17th - 19th March 2014
INVESTIGATION OF THE STRUCTURE OF NANOSIZED NanCln (n = 4, 8, 12, 16) CLUSTERS USING GLOBAL OPTIMIZATION
Conference Title:21st Annual Conference of the German Crystallographic Society (DGK)
Date and Places: Freiberg, Germany (March, 19 - 22, 2013)
The program KPLOT is used to draw and analyse crystal structures. The approach of the program to
drawing structures is similar that of the program ORTEP. Meanwhile most tasks available with ORTEP
have been integrated. Version 9 has the new feature that two structures can be handled simultaneously.
The pictures created with the program can be treated as simplified “ball and stick” models. The balls are
drawn in projection as circles while the sticks which are supposed to symbolize bonds or indicate coordinations
of atoms are represented as simple lines or double lines (tubes).