Browsing by Author "Schatz, J."
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Article
A DFT study of the ground state multiplicities of linear vs angular polyheteroacenes
Constantinides, Christos P.; Koutentis, Panayiotis Andreas; Schatz, J. (2004)Unrestricted density functional calculations in combination with the broken-symmetry approach and spin-projection methods have been employed to study a series of formally 4n π antiaromatic linear and angular polyheteroacenes. ...