𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A density functional theory study of the conformational properties of 1,2-ethanediamine: protonation and solvent effects

✍ Scribed by David De Corte; Carl-Wilhelm Schläpfer; Claude Daul

Book ID
105886891
Publisher
Springer
Year
2000
Tongue
English
Weight
193 KB
Volume
105
Category
Article
ISSN
1432-2234

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Solvent effects on adsorption of CO over
Solvent effects on adsorption of CO over CuCl(1 1 1) surface: A density functional theory study
✍ Riguang Zhang; Lixia Ling; Baojun Wang; Wei Huang 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 369 KB

DFT calculations have been performed to investigate the effect of dielectric responses of the solvent environment on the CO adsorption over CuCl(1 1 1) surface by using COSMO (conductor-like solvent model) model in Dmol 3 . Different dielectric constants, including vacuum, liquid paraffin, methylene