B.A. Sastry,S.Md. Asadullah,G. Ponticelli and R. Pinna,EPR studies on copper(II) [2,5-diphenyleoxazole]2 (ClO4)2 · 4H2O,Chem. Phys. Letters 73 (1980) 118. |
| |
| Authors: | A.V. Nemukhin J. Almlöf A. Heiberg |
| |
| Affiliation: | Department of Chemistry, University of Oslo, Blindern, Oslo 3, Norway |
| |
| Abstract: | The potential curves tor the 1,3σ+ and 1,3Π states of BLi and for the 2σ+ and 2Π states of BLi+ were caleatated with the help of the CAS SCF method. The 3π state was found to be the ground state of BLi. The molecule is stable with dissociation energy 0.70 eV. |
| |
| Keywords: | Permanent addrss: Department of Chemistry Moscow State University Moscow 117234 USSR. |
| 本文献已被 ScienceDirect 等数据库收录！ |
|
