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
Despite its apparently simple nature with four valence electrons, the strontium dimer constitutes a challenge for modern electronic structure theory. Here we focus on excited electronic states of Sr2,
The oxorhenium(V) complexes [ReVO(LA)Cl2] bearing the (N-2-pyridylmethyl) of l-valine (HLA1), l-leucine (HLA2), and l-phenylalanine (HLA3) and [ReVO(LB)Cl] containing the {(N-2pyridylmethyl)-(N-(5-nit
