## Abstract Bond correlation energies ϵ(XY) have been derived by partitioning second‐order Rayleigh–Schrödinger–Møller–Plesset (RSMP) correlation energies. Values of ϵ(XY) depend on the type of bonding between atoms X and Y. They can be considered as comprising correlation energies of bond, lone, a
Thermochemical parameters and calculations ab-initio of the bisdimethyldithiocarbamate zinc(II) complex
✍ Scribed by J. R. Botelho; A. G. Souza; A. D. Gondim; P. F. Athayde-Filho; P. O. Dunstan; C. D. Pinheiro; E. Longo; L. H. Carvalho
- Publisher
- Springer Netherlands
- Year
- 2005
- Tongue
- English
- Weight
- 273 KB
- Volume
- 79
- Category
- Article
- ISSN
- 0022-5215
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The geometry dependence of the exchange integrals and the total energies of sulfur-bridged complexes of the types L NiSNiL , L NiS NiL , and 5 5 4 2 4 L NiS NiL is studied by quantum chemical ab initio methods. The linear monobridged 3 3 3 complex is antiferromagnetic, the bi-and triply-bridged com
## Abstract The ground state energy of the He~2~ system is calculated according to the techniques described in Paper I around the van der Waals equilibrium, without assuming the constancy of the intraatomic correlation energies. The second‐order results do not present an attractive region; the __S_