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MC-PDFT can calculate singlet–triplet splittings of organic diradicals
Stoneburner, Samuel J., Truhlar, Donald G., Gagliardi, LauraVolume:
148
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.5017132
Date:
February, 2018
File:
PDF, 2.10 MB
english, 2018