Orca simulation ...

• Main Author: Rzepa, Henry S
• Format: Article in Journal/Newspaper
• Language: English
• Published: Imperial College London 2009
• Subjects: InChI=1/C22H28/c1-2-4-6-8-10-12-14-16-18-20-22-21-19-17-15-13-11-9-7-5-3-1/h1-4,7-10,13-16,19-22H,5-6,11-12,17-18H2/b3-1+,4-2+,9-7+,10-8+,15-13+,16-14+,21-19+,22-20+; InChIKey=ZCMYDOSKKZGVEL-ABYZAWEKBF; C1=CCC=CCC=CCC=CC=CCC=CCC=CCC=C1; Orca
• Online Access: https://dx.doi.org/10.14469/ch/2066; https://spectradspace.lib.imperial.ac.uk:8443/dspace/handle/10042/to-2091

octaphyrins ... : 22 RI-B2GP-B2PLYP TZVPP TZVPP/C ...