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Graphical studies on the relations between the structure and reactivity of conjugated systems: the role of non-bonding molecular orbitals

✍ Scribed by D. Cvetković; I. Gutman; N. Trinajstić


Publisher
Elsevier Science
Year
1975
Tongue
English
Weight
871 KB
Volume
28
Category
Article
ISSN
0022-2860

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✍ Karolina Kisowska; Slawomir Berski; Zdzislaw Latajka 📂 Article 📅 2008 🏛 John Wiley and Sons 🌐 English ⚖ 549 KB

## Abstract __Ab initio__ studies carried out at the MP2(full)/6‐311+G(2df) and MP2(full)/aug‐cc‐pVTZ‐PP computational levels reveals that dinitrogen (N~2~) and cuprous halides (CuX, X = F, Cl, Br) form three types of systems with the side‐on and end‐on coordination of N~2~: NNCuX (C~∞v~), N~2~C