𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Theoretical study of the structural evolution of small hydrogenated silicon clusters: Si6Hx

✍ Scribed by Takehide Miyazaki; Tsuyoshi Uda; Ivan Štich; Kiyoyuki Terakura


Book ID
107736688
Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
481 KB
Volume
261
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Theoretical study of silicon–sulfur clus
✍ Su-Fan Wang; Ji-Kang Feng; Chia-Chung Sun; Peng Liu; Zhen Gao; Fan-Ao Kong 📂 Article 📅 2001 🏛 John Wiley and Sons 🌐 English ⚖ 312 KB 👁 2 views

The possible geometrical structures and relative stability of silicon-sulfur clusters (SiS 2 ) (n = 1-6) are explored by means of density functional theory (DFT) quantum chemical calculations. We also compare DFT with second-order Møller-Plesset (MP2) and Hartree-Fock (HF) methods. The effects of po

A theoretical study of small silicon clu
✍ Celeste McMichael Rohlfing; Krishnan Raghavachari 📂 Article 📅 1990 🏛 Elsevier Science 🌐 English ⚖ 505 KB

The structures and energies of small silicon clusters are investigated using an effective core potential (BCP), a double-zeta polarized basis set, and fourth-order Mlaller-Plesset perturbation theory. Excellent agreement is obtained with the results of recent all-electron calculations of Sit-Sin,. T