2k_TDDFT_E_f_compound_2.zip
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资源简介：
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. Geometries were obtained from a Wigner distribution. The first geometry is an equilibrium geometry.
创建时间：
2020-08-04
