𝔖 Bobbio Scriptorium
✦   LIBER   ✦

First-principles studies of the energetics and the electronic structures of methylguanine

✍ Scribed by Geunjung Lee, Young-Gui Yoon


Book ID
115076852
Publisher
The Korean Physical Society
Year
2012
Tongue
English
Weight
196 KB
Volume
60
Category
Article
ISSN
0374-4884

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


First-principles calculations on the ene
✍ Wen Lai Huang πŸ“‚ Article πŸ“… 2009 πŸ› John Wiley and Sons 🌐 English βš– 811 KB

## Abstract The electronic and magnetic properties of SrFeO~2~ with different magnetic configurations have been calculated via the plane‐wave pseudopotential density functional theory method, using the experimental lattice parameters. The results give an antiferromagnetic ground state for SrFeO~2~

First-principles study of electronic str
✍ Lang Sun; Guangshe Li; Wendan Cheng; Liping Li πŸ“‚ Article πŸ“… 2010 πŸ› Elsevier Science 🌐 English βš– 613 KB

Electronic structures of Mg 1-x Cr x O (x = 0, 0.25, 0.5, 0.75) were investigated based on first-principles calculations using generalized gradient approximation (GGA) and GGA + U. Different magnetic and electronic properties are predicted from the calculated spin-dependent density of states near th