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Structure and cooperativity of the hydrogen bonds in sodium dihydrogen triacetate

✍ Scribed by Ashour A. Ahmed; Oliver Kühn; Rifaat H. Hilal; Mohamed F. Shibl


Book ID
115561832
Publisher
John Wiley and Sons
Year
2012
Tongue
English
Weight
660 KB
Volume
113
Category
Article
ISSN
0020-7608

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✍ Qing-Zhong Li; Ting Hu; Xiu-Lin An; Bao-An Gong; Jian-Bo Cheng 📂 Article 📅 2008 🏛 John Wiley and Sons 🌐 English ⚖ 192 KB 👁 1 views

## Abstract The cooperativity between the dihydrogen bond and the N⋅⋅⋅HC hydrogen bond in LiH–(HCN)__~n~__ (__n__=2 and 3) complexes is investigated at the MP2 level of theory. The bond lengths, dipole moments, and energies are analyzed. It is demonstrated that synergetic effects are present in the