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MC-PDFT can calculate singlet-triplet splittings of organic diradicals.

Stoneburner, Samuel J

MC-PDFT can calculate singlet-triplet splittings of organic diradicals. [electronic resource] - The Journal of chemical physics Feb 2018 - 064108 p. digital

Publication Type: Journal Article

ISSN: 1089-7690

Standard No.: 10.1063/1.5017132 doi

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