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Structure and charge distribution of some alkynoyl cations

✍ Scribed by Otilia Mó; Manuel Yáñez


Publisher
Springer
Year
1979
Tongue
English
Weight
336 KB
Volume
53
Category
Article
ISSN
1432-2234

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Structure and charge distribution of mul
✍ Emil Roduner; Ivan D. Reid 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 582 KB

Spin-restricted Hartree-Fock molecular orbitals calculations have been performed for Ck ( -6 d n Q + 6) at a MNDO type semi-empirical level based on the PM3 parameterization. The optimized geometries reveal interesting variations in bond lengths. The neutral molecule and the triplet states of the tw