𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Structural changes induced by an excess electron in small mercury clusters

✍ Scribed by Yixuan Wang; Heinz-Jürgen Flad; Michael Dolg

Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
85 KB
Volume
201
Category
Article
ISSN
1387-3806

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Energetics, structure and excess electro
Energetics, structure and excess electrons in small sodium-chloride clusters
✍ H. Häkkinen; R.N. Barnett; Uzi Landman 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 756 KB

The structure and energetics of stoichiometric (NaCl)n, 1 ~< n ~< 4, clusters, and of halide-deficient clusters in the sequence Na4Clm, 0 ~< m ~< 3, are studied using local-spin-density functional calculations, with and without exchange-correlation gradient corrections. The energy optimized structur

Structural changes in erythrocyte compon
Structural changes in erythrocyte components induced by copper and mercury
✍ Krzysztof Gwoździński 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 399 KB

The effect of copper and mercury on haemoglobin was studied. Different mechanism of the action of both studied metals on haemoglobin was shown. Action of copper ions on haemoglobin leads to mgnificant changes in its structure. Hg 2+ block---SH groups of globin chains and protect oxyhaemoglobin befor

Change in a protein's electronic structu
Change in a protein's electronic structure induced by an explicit solvent: An ab initio fragment molecular orbital study of ubiquitin
✍ Yuto Komeiji; Toyokazu Ishida; Dmitri G. Fedorov; Kazuo Kitaura 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 763 KB

## Abstract The effect of solvation on the electronic structure of the ubiqutin protein was analyzed using the __ab initio__ fragment molecular orbital (FMO) method. FMO calculations were performed for the protein __in vacuo__, and the protein was immersed in an explicit solvent shell as thick as 1