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Indo parameters for the first-and second-row transition metals

✍ Scribed by O. V. Sizova; V. I. Baranovskii

Book ID
110563591
Publisher
SP MAIK Nauka/Interperiodica
Year
1994
Tongue
English
Weight
517 KB
Volume
35
Category
Article
ISSN
0022-4766

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πŸ“œ SIMILAR VOLUMES

INDO parameters for the elements of the
INDO parameters for the elements of the I and II transition rows
✍ O. V. Sizova; V. I. Baranovski πŸ“‚ Article πŸ“… 1995 πŸ› John Wiley and Sons 🌐 English βš– 642 KB

It is shown that with the use of published one-center INDO parameters for transition metals M , it is not possible to reproduce experimental relative energies of the electronic states of M , M', and M 2 + accurately enough. Two new sets of INDO parameters for the elements of the I and I1 transition

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