𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Density Functional Theory Investigation of Product Distribution following Reaction of Acrylonitrile on Diamond (001)-2×1 Surface

✍ Scribed by Zhang, Laibin; Ren, Tingqi; Wang, Hongming; Wang, Meishan; Yang, Chuanlu; Han, Keli

Book ID
126956350
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
455 KB
Volume
110
Category
Article
ISSN
0022-3654

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Time-dependent Monte Carlo simulations o
Time-dependent Monte Carlo simulations of radical densities and distributions on the diamond {001} (2 × 1): H surface
✍ E.J. Dawnkaski; D. Srivastava; B.J. Garrison 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 556 KB

Time-dependent Monte Carlo simulations are performed to determine the steady state distribution and density of C radicals on the diamond { 001 } (2 X 1 ) :H surface. The required reaction rates and probabilities of the individual events are either explicitly calculated via molecular dynamics simulat