𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Structure and Stability of Water Clusters (H2O)n, n = 8−20: An Ab Initio Investigation

✍ Scribed by Kulkarni, Anant D.; Gadre, Shridhar R.; Maheshwary, Shruti; Patel, Nitin; Sathyamurthy, Narayanasami

Book ID
115444136
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
334 KB
Volume
105
Category
Article
ISSN
1089-5639

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Structures, stabilities and ionization p
Structures, stabilities and ionization potentials of Na(H2O) n and Na(NH3)n (n= 1–6) clusters. An ab initio MO study
✍ Kenro Hashimoto; Shaoren He; Keiji Morokuma 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 672 KB

The structure and stability of Na(H,O),, and Na(NH,). (n= 1-6) have been calculated at the HF/3-21G level. For n24 Na(HIO), is a surface complex, where Na atom tends to be situated on the surface of (H,O), cluster. Na(NI-$), is an inclusion complex where Na is surrounded by NH3 molecules. Water-wate

An ab initio study of water clusters in
An ab initio study of water clusters in gas phase and bulk aqueous media: (H2O)n, n=1–12
✍ D. M. Upadhyay; M. K. Shukla; P. C. Mishra 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 263 KB 👁 2 views

Geometries of several clusters of water molecules including single minimum energy structures of n-mers (n = 1-5), several hexamers and two structures of each of heptamer to decamer derived from hexamer cage and hexamer prism were optimized. One structural form of each of 11-mer and 12-mer were also