𝔖 Bobbio Scriptorium
✦   LIBER   ✦

All electron ab initio investigations of the electronic states of the MoN molecule

✍ Scribed by I Shim; K.A Gingerich


Book ID
114143215
Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
207 KB
Volume
460
Category
Article
ISSN
0166-1280

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


All-Electron Ab Initio Investigation of
✍ Irene Shim; Karl A. Gingerich πŸ“‚ Article πŸ“… 2001 πŸ› John Wiley and Sons 🌐 English βš– 97 KB πŸ‘ 2 views

The electronic structure of transition metal containing molecules are extremely complicated and extensive calculations are required for reliable descriptions. In spite of this the results can often be interpreted in simple terms. The electronic structure of PdC is consistent with the molecular orbit

Relativistic all-electron ab initio calc
✍ Timo Fleig; Christel M. Marian πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 559 KB

The results of relativistic self-consistent field, complete active space self-consistent field and multireference configuration interaction calculations for the platinum hydride molecule are presented, using the spin-free no-pair Hamiltonian in a basis set expansion. Spin-orbit interaction effects a