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The NHn2+ (n = 1−4) dications. A theoretical investigation

✍ Scribed by Wolfram Koch; Helmut Schwarz

Book ID
103601032
Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
503 KB
Volume
68
Category
Article
ISSN
0168-1176

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Theoretical Investigations on Fluorine-S
Theoretical Investigations on Fluorine-Substituted Ethylene Dications C2HnF4-n2+(n = 0–4)
✍ Gernot Frenking; Wolfram Koch; Helmut Schwarz 📂 Article 📅 1986 🏛 John Wiley and Sons 🌐 English ⚖ 837 KB

The optimized geometries and energies of fluorine-substituted ethylene dications C2H,F4-,'+ (n = 0-4) have been investigated by means of ab initio methods. At the MP3/6-31G\*\*//6-31G\* + zero-point energy level of theory, the results predict that C2F4'+ and C2HF3'+ are planar, while C2H4'+, C2H3F2+