✦ LIBER ✦

Simulation of Raman spectra of Cand Cby non-orthogonal tight-binding molecular dynamics

✍ Scribed by T.A. Beu; J. Onoe; K. Takeuchi

Publisher: Springer
Year: 2000
Tongue: English
Weight: 268 KB
Volume: 10
Category: Article
ISSN: 1434-6060
DOI: 10.1007/s100530050562

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Tight-binding molecular dynamics simulat

Tight-binding molecular dynamics simulation of ZnSe liquid within the local environment dependence

✍ A. Laref 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 610 KB

## Abstract We investigate the structural, electronic and dynamical properties of ZnSe liquid using tight‐binding molecular dynamics (TBMD) simulations. We report the TBMD calculations for the solid and liquid forms of the ZnSe compound. To produce more realistic results the TB model includes the l

Molecular dynamic simulations of the met

Molecular dynamic simulations of the metallo-beta-lactamase fromBacteroides fragilisin the presence and absence of a tight-binding inhibitor

✍ Freddie R. Salsbury; Michael W. Crowder; Stephen F. Kingsmore; James J. A. Huntl 📂 Article 📅 2008 🏛 Springer-Verlag 🌐 English ⚖ 579 KB

Tight-binding quantum chemical molecular

Tight-binding quantum chemical molecular dynamics simulation of mechano-chemical reactions during chemical–mechanical polishing process of SiO2 surface by CeO2 particle

✍ Arivazhagan Rajendran; Yasufumi Takahashi; Michihisa Koyama; Momoji Kubo; Akira 📂 Article 📅 2005 🏛 Elsevier Science 🌐 English ⚖ 275 KB