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The bonding in second row transition metal dihydrides, difluorides and dichlorides

✍ Scribed by Per E. M. Siegbahn

Book ID
105082994
Publisher
Springer
Year
1994
Tongue
English
Weight
835 KB
Volume
87
Category
Article
ISSN
1432-2234

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πŸ“œ SIMILAR VOLUMES

A comparison of the bonding in the secon
A comparison of the bonding in the second-row transition-metal oxides and carbenes
✍ Per E.M. Siegbahn πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 867 KB

Calculations including electron correlation of all valence electrons have been performed for the sequence of second-row transition-metal oxides and carbenes. For the atoms to the right the bond strengths of the carbenes and the oxides are similar while for the atoms to the lefi the oxide bond streng

Improved model core potentials for the s
Improved model core potentials for the second- and third-row transition metals
✍ Christopher C. Lovallo; Mariusz Klobukowski πŸ“‚ Article πŸ“… 2004 πŸ› John Wiley and Sons 🌐 English βš– 105 KB πŸ‘ 1 views

## Abstract New nonrelativistic and scalar‐relativistic pseudopotentials for the second‐ and third‐row transition metals have been developed. These improved Model Core Potentials were used in calculations for a variety of transition metal complexes to test their ability to reproduce experimental st

Investigation of the use of density func
Investigation of the use of density functionals in second- and third-row transition metal dimer calculations
✍ Susumu Yanagisawa; Takao Tsuneda; Kimihiko Hirao πŸ“‚ Article πŸ“… 2001 πŸ› John Wiley and Sons 🌐 English βš– 265 KB

## Abstract We explore the use of density functionals in calculating the equilibrium distances, dissociation energies, and harmonic vibrational frequencies of the homonuclear diatomics of the second‐row transition metals, platinum, and gold. The outermost __s__–__d__ interconfigurational energies (