𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Analysis of the infrared plasma reflectivity minimum by a self-consistent method

✍ Scribed by M.M. Jevtić; D.I. Tošić; D.A. Tjapkin


Publisher
Elsevier Science
Year
1985
Weight
542 KB
Volume
25
Category
Article
ISSN
0020-0891

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


The treatment of solvation by a generali
✍ Li Xie; Haiyan Liu 📂 Article 📅 2002 🏛 John Wiley and Sons 🌐 English ⚖ 232 KB 👁 2 views

## Abstract We present a model to calculate the free energies of solvation of small organic compounds as well as large biomolecules. This model is based on a generalized Born (GB) model and a self‐consistent charge‐density functional theory‐based tight‐binding (SCC‐DFTB) method with the nonelectros

A model for self-consistent cluster calc
✍ B. Cartling; B. Roos; U. Wahlgren 📂 Article 📅 1973 🏛 Elsevier Science 🌐 English ⚖ 451 KB

It is shown that essential Features of the band structure of a. covalent crystal, as silicon, emerge in the level scheme of a cluster calculation utilizing the SCF Xa scattered wave method. 'The model cluster was terminated by a layer of saturating atoms to take care or the dangling bonds and the po

Macroscopic solvent polarization-induced
✍ Chitrani Medhi; S. P. Bhattacharyya 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 321 KB 👁 2 views

A detailed study of the type and extent of electronic reorganization created by macroscopic solvation of a prototypical carbonyl solute is carried out within the framework of the semiempirical multiconfiguration self-consistent reaction-field model. The solvation causes additional polarization of th