2001 geometries of (10-phenylacridin-9(10H)-ylidene)malononitrile in xyz format and reference TDDFT (ωB97XD/def2-SVP) values for 30 excitation energies and oscillator strengths at each geometry. Geome
[(1MeCH)(1MeC)](I3)·2H2O (1MeC = 1-methylcytosine) (1) displays a single hemicytosinium i-motif, which is surrounded by four water molecules and interestingly does not exhibit direct interactions w
The expanded porphyrins have become a useful tool to synthesize new Hückel-to-Möbius topological switches. Only applying small changes in the external conditions (temperature, solvent, redox potenti
