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Cyclic hydrogen-bonded water—halide dimers, (H2O · X-)2

✍ Scribed by Thomas C.W. Mak; Suk Ping So; Chung Chieh; Khalid S. Jasim


Publisher
Elsevier Science
Year
1985
Tongue
English
Weight
160 KB
Volume
127
Category
Article
ISSN
0022-2860

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A PCILO study of the nine hydrogen bonde
✍ Milan Remko 📂 Article 📅 1978 🏛 Elsevier Science ⚖ 239 KB

The PCILO method was used for the study of the nine hydrogen bonded dimers formed by NH3, H20 and HF. According to our calculations the PCILO method reproduces well some properties of the hydrogen bond. The calculated energies and geometries are compared with available experimental data, ab initio a