On the dimerization of BH3 and the associated delocalization (resonance) energy
โ Scribed by Clyde Edmiston; Peter Lindner
- Book ID
- 104578294
- Publisher
- John Wiley and Sons
- Year
- 1973
- Tongue
- English
- Weight
- 434 KB
- Volume
- 7
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
## Reccivccl G October 1970 The Hartrcc-Fock :md correlxtion cnerb~ contributions to the dinicrizntion energy of BIi:j h:ivc been calculated :IS 8.1 and 16.8 kcal/mole. respectively. The lnttcr is mninlv due to the incrensc in the number of p:Grs of nmrcst ncighhour bonds. WC estimate the dimerizn
Extended basis set computations on SCF and CEPA level were performed for BHJNHs and BHsPHs to determine the complexation energy AE and the equilibrium distance r(BX) between the "heavy" atoms. Our CEPA results (SCF in parentheses): AJ!?(BH~NH) = -27(-21.3) kcal/mol, M(LiHsPH3) = -17(-11.8) kcal/mol,