A density functional theory study of the cyclization and ring opening reactions of selected 2,2-diphenyl-cyclopropyl radicals
Title | A density functional theory study of the cyclization and ring opening reactions of selected 2,2-diphenyl-cyclopropyl radicals |
Publication Type | Journal Article |
Year of Publication | 2007 |
Authors | Guan, Xiangguo, and Phillips David Lee |
Journal | Journal of molecular structure: THEOCHEM |
Volume | 811 |
Start Page | 135 |
Date Published | 2007 |
Keywords | Density functional theory, Free energy barrier, Radical cyclization, Ring opening, Spin densities |
DOI | 10.1016/j.theochem.2007.02.039 |