𝔖 Bobbio Scriptorium
✦   LIBER   ✦

An Ab initio perturbed ion study of pyrope garnet structure

✍ Scribed by J. Andrés; A. Beltrán; J.A. Igualada

Book ID
107815088
Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
541 KB
Volume
56
Category
Article
ISSN
0022-3697

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

An ab initio perturbed ion study of bulk
An ab initio perturbed ion study of bulk ceria
✍ J. Andrés; A. Beltrán 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 499 KB

The ab initio perturbed ion method has been applied to CeOz in order to characterize the geometric, mechanical, thermodynamic and electronic properties of the ground state of this system. The lattice parameter is found to be 535.3 pm, the bulk modulus is 5977 MPa, the lattice energy is -98 17.3 kJ m

An Ab Initio study of the permanganate i
An Ab Initio study of the permanganate ion
✍ Albert P. Mortola; Harold Basch; Jules W. Moskowitz 📂 Article 📅 1973 🏛 John Wiley and Sons 🌐 English ⚖ 646 KB

## Abstract An __ab initio__ self‐consistent computation has been performed on the permanganate ion (MnO) in a large basis set of contracted gaussian functions. The ground state description as well as those of the first two excited states are discussed and compared with those obtained experimentall