Theoretical study of the structure of tetraborane(10)
- Additional Document Info
- View All
Fully optimized geometries are reported for two possible isomers of B4H10. At the restricted Hartree-Fock level, the unobserved bisdiborane isomer is lower in energy than the observed isomer. Generalized-molecular-orbital, configuration-interaction calculations show that electron correlation is responsible for this reversal. Electron correlation may be important in stabilizing other cluster molecules. © 1981.
author list (cited authors)
Morris-Sherwood, B. J., & Hall, M. B
complete list of authors
Morris-Sherwood, Betty J||Hall, Michael B