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Ab initio calculations on the group IV tetrafluoride radical cations

✍ Scribed by R.A. Beärda; H.R.R. Wiersinga; J.F.M. Aarts; J.J.C. Mulder


Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
526 KB
Volume
137
Category
Article
ISSN
0301-0104

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Ab initio calculations on the benzyl rad
✍ 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.