Spin alignment in organic high-spin mole
β
Yoshio Teki; Takeji Takui; Masakatsu Kitano; Koichi Itoh
π
Article
π
1987
π
Elsevier Science
π
English
β 541 KB
Spin alignment in organic high-spin molecules with both unpaired II and non-bonding electrons of carbene has been studied with the help of exact numerical diagonalization of the Heisenberg Hamiltonian. This approach predicts correct spin states and their relative energy gaps of high-spin molecules n