19.06.2013
Department Neese:
Department Bill:
- An ab initio, DFT and semiempirical SCF-MO package -
January 2012: New ORCA 2.9 version available !
The program ORCA is a modern electronic structure program package written by F. Neese.
The binaries of ORCA are available free of charge for academic users for a variety of platforms.
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Department Bill:
julX
Simulation of molecular magnetic data
julX is designed as an easy-to use and self-contained spin-Hamiltonian program for the visualization and simulation of magnetic susceptibility data from powder samples or frozen solutions of small molecular systems with up to four coupled spins with local multiplicities up to Si = 5/2.
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