Acridine NTOs (Section 4.2)
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资源简介：
The Natural transition orbitals for H+Acridine (log and fchk files), used in section 4.2. Contains orbitals for the first three singlet excited states, calculated by the B97D3 and wB97XD functionals. Calculated from MP2/DGTZVP optimised geometry.
提供机构：
Imperial College London
创建时间：
2021-06-27
