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physics.chem-ph2014
Study on the Electronic Structure and Stability of Some OPE(oligo-phenylene-ethynylene derivative)-RE3N@C80 Dyads by PM7
Kye-Ryong Sin, Sun-Gyong Ko, Hong-Gol O +1
In this paper, we investigated the electronic structure and stability of some mesomorphic OPE-RE3N@C80 dyads from the oligo-phenylene-ethynylene derivatives (OPE) and the trimetall…
physics.chem-ph2014
Study on the Electronic Structure and Stability of Some Endohedral Fullerenes - RE3N@C80 (RE = Sc, Y, La) by PM7
Kye-Ryong Sin, Sun-Gyong Ko, Kwang-Yong Ri +1
In this paper, we investigated the electronic structure of some endohedral fullerenes containing rare earth nitride and the stability of their benzyne-adducts by PM7, the semiempir…