𝔖 Bobbio Scriptorium
✦   LIBER   ✦

The electronic structure and geometry of BF2 and NF2

✍ Scribed by Colin Thomson; Douglas A. Brotchie

Publisher
Elsevier Science
Year
1972
Tongue
English
Weight
309 KB
Volume
16
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

✦ Synopsis

Results 31e presented of ab initio 4cuIations on the BF, and NF, radicrrls. Geometry predictions for these species usirq different gaussian orbital basis sets are compared.

πŸ“œ SIMILAR VOLUMES

The electronic structure and geometry of
The electronic structure and geometry of HNF and HBF
✍ Douglas A. Brotchie; Colin Thomson πŸ“‚ Article πŸ“… 1973 πŸ› Elsevier Science 🌐 English βš– 416 KB

The results of ab initio calculations, making use of the restricted Hartree-Fock scheme, on two radicals -HNF and the postulated species HBF -are presented. Geometry predictions made, using three different basis sets of gaussian orbitals are compared, and the bonding is discussed in terms of the Mul

Geometry and electronic structure of por
Geometry and electronic structure of porphyrins and porphyrazines
✍ D. Lamoen; M. Parrinello πŸ“‚ Article πŸ“… 1996 πŸ› Elsevier Science 🌐 English βš– 488 KB

We present a theoretical investigation based on density functional theory of the geometry and electronic structure of free base porphyrin and porphyrazine and their magnesium and palladium derivatives. The calculations are performed within the local density approximation and make use of pseudopotent