Tags AIM1 Aromaticity1 CI1 docker1 docking2 excited state5 GAMESS1 H-Bond2 Huang-Rhys1 IGMH1 MOKIT1 molclus1 Multiwfn3 NAS1 NCI1 note13 openbabel1 Optimization2 Orb-Viewer1 post1 PySCF1 RDG1 rdkit1 SOC1 Tasker1 tools2 VMD1