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Long Range π-Type Hydrogen Bond in the Dimers (HF) 2 , (H 2 O) 2 , and H 2 O−HF

✍ Scribed by Zhi-Ru, Li; Di, Wu; Ze-Sheng, Li; Xu-Ri, Huang; Tao, Fu-Ming; Chia-Chung, Sun


Book ID
127366234
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
70 KB
Volume
105
Category
Article
ISSN
1089-5639

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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