𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ab initio calculations on the dissociation of the CF4+• radical ion

✍ Scribed by R.A. Beärda; J.J.C. Mulder

Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
915 KB
Volume
128
Category
Article
ISSN
0301-0104

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Ab initio calculations on the benzyl rad
Ab initio calculations on the benzyl radical
✍ A. Hinchliffe 📂 Article 📅 1972 🏛 Elsevier Science 🌐 English ⚖ 96 KB

An ab initio calculation of the ESR.proton coupling constants in the benzyl radical is reported. The results compare reasonably well with experLrnent aa~d are similar to those obtained from semi-empirical rr electron calculations.

AB initio calculations on the hydration
AB initio calculations on the hydration energies of Br− Ion
✍ 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