Diradical Characters of s-Indaceno[1,2,3-cd;5,6,7-c’d’]Diphenalene with and without Interaction with MgO(001) - Tada, Kohei; Ozaki, Hiroyuki; Fujimaru, Koji; Kitagawa, Yasutaka; Kawakami, Takashi; Okumura, Mitsutaka (E-journal of surface science and nanotechnology, 2022)
Keywords: Density functional theory; Magnesium oxide; Magnets; Mathematical analysis; Plane waves; Quantum computers; Shells (structural forms); Steric hindrance; Superconductivity