| CRYSTAL
In the following any reference to CRYSTAL03 program does
indeed apply to both CRYSTAL06, CRYSTAL09 and
CRYSTAL14 versions of the program.
See the web site www.crystal.unito.it for further
details.
Structures can easily be exported to
prepare the standard CRYSTAL03 input file (files with .D12 extension). Similarly,
MOLDRAW can import output files resulting from the quantum mechanical
calculation (either geometry
optimization or frequency
calculation) performed with CRYSTAL03.
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