The TD-DFT log files for H+Acridine, calculated using APFD/DGTZVP, wB97XD/DGTZVP, B97D3/DGTZVP and B3LYP/DGTZVP using MP2/DGTZVP geometry. Used in section 4.2 of the report.
This page, "acridine monohydrate", is part of the NIST Chemistry WebBook. This site and its contents are part of the NIST Standard Reference Data Program.
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.
