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Structures and bonding of the complexes [M(η5-E5)] and [M(η5-E5)2] (M

✍ Scribed by Kai-Sheng Diao; Hai-Jun Wang; Qing-Yu Ge

Book ID
106538183
Publisher
Springer
Year
2007
Tongue
English
Weight
301 KB
Volume
18
Category
Article
ISSN
1040-0400

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A Theoretical Study on Structures, Bondi
A Theoretical Study on Structures, Bonding Energies and Aromaticity of Two New Series of Dinuclear Phosphametallocenes: (η5-P5)MM′(η5-P5) and (η5-C5H5)MM′(η5-P5) (M, M′ = Zn, Cd)
✍ Zi-Zhong Liu; Wei Quan Tian; Ji-Kang Feng; Gang Zhang; Wei-Qi Li; Yan-Hong Cui; 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 269 KB 👁 1 views

## Abstract The equilibrium geometries, the energies, the harmonic vibrational frequencies, and the nucleus independent chemical shifts (NICSs) of the ground state of (η^5^‐P~5~)MM′(η^5^‐P~5~) and (η^5^‐C~5~H~5~)MM′(η^5^‐P~5~) (M, M′ = Zn, Cd) are calculated by the hybrid density functional method