๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

The influence of electron correlation on reaction energies. The dimerization energies of BH3and LiH

โœ Scribed by Reinhart Ahlrichs

Book ID
105559152
Publisher
Springer
Year
1974
Tongue
English
Weight
594 KB
Volume
35
Category
Article
ISSN
1432-2234

No coin nor oath required. For personal study only.

๐Ÿ“œ SIMILAR VOLUMES

Computation of the complexation energies
Computation of the complexation energies of BH3NH3 and BH3PH3
โœ Reinhart Ahlrichs; Wolfgang Koch ๐Ÿ“‚ Article ๐Ÿ“… 1978 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 346 KB

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,

Origin of the dimerization energy of BH3
Origin of the dimerization energy of BH3 to B2H6
โœ M. Gelus; R. Ahlrichs; V. Staemmler; W. Kutzelnigg ๐Ÿ“‚ Article ๐Ÿ“… 1970 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 235 KB

## 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