Orca simulation ...

• Main Author: Rzepa, Henry S
• Format: Article in Journal/Newspaper
• Language: English
• Published: Imperial College London 2009
• Subjects: InChI=1/C22H24/c1-2-4-6-8-10-12-14-16-18-20-22-21-19-17-15-13-11-9-7-5-3-1/h1-10,13-22H,11-12H2/b2-1-,5-3+,6-4+,9-7+,10-8+,15-13+,16-14+,19-17+,20-18+,22-21-; InChIKey=XEFUJULPYNDLRI-XFXZGJFXBO; C=1C=CC=CCC=CC=CC=CC=CC=CCC=CC=CC1; Orca
• Online Access: https://dx.doi.org/10.14469/ch/1786; https://spectradspace.lib.imperial.ac.uk:8443/dspace/handle/10042/to-1811

octaphyrins ... : RI-B2GP-B2PLYP TZVP TZV/C Opt ...