作者: Kasper P. Jensen , Stephan P. A. Sauer , Tommy Liljefors , Per-Ola Norrby
DOI: 10.1021/OM000260P
关键词:
摘要: In this study, the first density functional theory calculations on B12 models that contain entire corrin ring are presented to evaluate earlier findings by other groups. Eight octahedral corrin...