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Local Treatment of Electron Correlation in Molecular Clusters: Structures and Stabilities of (H 2 O) n , n = 2−4

✍ Scribed by Schütz, Martin; Rauhut, Guntram; Werner, Hans-Joachim

Book ID
126249992
Publisher
American Chemical Society
Year
1998
Tongue
English
Weight
77 KB
Volume
102
Category
Article
ISSN
1089-5639

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📜 SIMILAR VOLUMES

Electronic structure and stability of Al
Electronic structure and stability of AlnPn (n = 2–4) clusters
✍ Yuhui Qu; Xiufang Bian 📂 Article 📅 2004 🏛 John Wiley and Sons 🌐 English ⚖ 131 KB

## Abstract The geometry, electronic configurations, harmonic vibrational frequencies, and stability of the structural isomers of aluminum phosphide clusters have been investigated using the density functional theory. For dimers and trimers, the lowest energy structures are cyclic (IIs, IIIs) with