AB initio calculations on the hydration
✍
Shigeru Ikuta
📂
Article
📅
1979
🏛
Elsevier Science
🌐
English
⚖ 371 KB
The energies of the hydrated I3r-ion for coordination numbers up to 4 hate been calculated with an ab initio hf0 method. The most favorable orientation is the ion-dipole one. in contrast to the H-bonded orientation for C17HaO) and F7HzO). The hydration energies cafcufa~ed in this study are in fair