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Electron affinities of the U2Fn molecules (8⩽ n ⩽12)

✍ Scribed by A.T. Pyatenko; L.N. Gorokhov


Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
235 KB
Volume
105
Category
Article
ISSN
0009-2614

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Accurate theoretical estimates of the el
✍ John A. Pople; Paul von Ragué Schleyer; José Kaneti; Günther W. Spitznagel 📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 457 KB

Electron affinities of AH, molecules (A = Li to Cl) are estimated by ab initio molecular orbital theory, using isogyric comparisons with the hydrogen molecule. Results agree with experimental data to within 0.1 eV for first-row and most second-row compounds. Electron affinities are predicted for BH,