𝔖 Bobbio Scriptorium
✦   LIBER   ✦

On the validity of the Xα method in the computation of ionization potentials. A comparison of the results for small molecules

✍ Scribed by Giancarlo De Alti; Piero Decleva; Adriana Lisini

Publisher
Elsevier Science
Year
1982
Tongue
English
Weight
791 KB
Volume
66
Category
Article
ISSN
0301-0104

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

A method for the determination of diffus
A method for the determination of diffusion coefficients for small molecules in aqueous solution
✍ Jeffrey R. Hazel; Bruce D. Sidell 📂 Article 📅 1987 🏛 Elsevier Science 🌐 English ⚖ 522 KB

A method is described for determining the diffusion coefficients of small solutes in limited volumes (approximately equal to 4-9 ml) of fluid. Diffusion is measured in a three-chamber diffusion cell across a central unstirred compartment. Compartments are separated by nitrocellulose membranes. The i

The application of effective core potent
The application of effective core potentials in heavy atom molecules: A study of small gold clusters and molecules as a function of theoretical method
✍ Joseph J. Belbruno 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 137 KB 👁 2 views

## Geometric parameters and energies have been calculated for the ground and first excited states of the gold dimer using effective core potentials (ECPs) and a range of standard density functional theory (DFT) models. After initial evaluation, the B3P86 theoretical model was the procedure employed