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juno

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2	How to know about radical character of a diradical molecule?
2	How to calculate the magnetic exchange coupling in a charged radical complex?
2	Which natural orbitals are better for CASSCF calculations for organic diradicals?
1	How is occupation number of lowest unoccupied natural orbital defined?
1	How does MP2 level of theory affect the natural orbital picture of the system?

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0 quantum-chemistry × 4	0 organometallic-compounds
0 density-functional-theory × 4	0 molecular-structure
0 radicals × 3	0 epr-spectroscopy
0 organic-chemistry × 3	0 theoretical-chemistry
0 molecular-orbital-theory × 3	0 computational-chemistry

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