𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A molecular-orbital study of the ground and excited-state properties of metallocenes of the first-row transitionmetal ions. I

✍ Scribed by David R. Armstrong; Robert Fortune; Peter G. Perkins


Book ID
108347173
Publisher
Elsevier Science
Year
1976
Tongue
English
Weight
1013 KB
Volume
111
Category
Article
ISSN
0022-328X

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


A relationship between the sizes and ene
✍ R. Daudel; J. D. Goddard; I. G. Csizmadia πŸ“‚ Article πŸ“… 1977 πŸ› John Wiley and Sons 🌐 English βš– 405 KB

## Abstract __Ab initio__ calculations have been performed on selected first‐row hydrides with a large Gaussian basis set. Energy localized molecular orbitals (LMO'S) were computed and analysed in terms of their sizes and shapes. The total molecular electronic energy was partitioned into components

Ab initio molecular orbital and density
✍ A. M. Mebel; H. L. Lin; S. H. Lin πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 236 KB πŸ‘ 2 views

The structure and energetics of the C H и I complex have been studied 6 6 2 1 1.55 eV difference between the vertical and adiabatic excitation energies of 4 AЈ and the dramatic geometry change in the CT state.