Orca simulation ...

• Main Author: Rzepa, Henry S
• Format: Article in Journal/Newspaper
• Language: English
• Published: Imperial College London 2009
• Subjects: InChI=1/C14H24/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-2,13-14H,3-12H2/b2-1-,14-13-; InChIKey=WCMISCDQOHKOAN-JOHUQSCIBF; C1CC=CCCCCCC=CCCC1; Orca
• Online Access: https://dx.doi.org/10.14469/ch/2072; https://spectradspace.lib.imperial.ac.uk:8443/dspace/handle/10042/to-2097

octaphyrins ... : 14 b3lyp TZVPP ...