Density Functional Theory Study of Hydrogen Bonds of Bipyridine with 1,3,5-Benzenetricarboxylic Acid
β Scribed by Quan Li; Keqing Zhao
- Publisher
- John Wiley and Sons
- Year
- 2009
- Tongue
- English
- Weight
- 93 KB
- Volume
- 27
- Category
- Article
- ISSN
- 0256-7660
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Magnetic properties and energies of linear and planar hydrogen clusters in their singlet and triplet electronic states were computed with the B3LYP hybrid density functional theory method. The energy of cyclization and change of magnetic properties in the course of cyclization of isoelectronic hydro