Theoretical Study of Stable trans and cis Isomers in [UO 2 (OH) 4 ] 2- Using Relativistic Density Functional Theory. -Relativistic DFT calculations for uranyl(VI) tetrahydroxide yield a total of nine stable structures possessing either a linear (trans-uranyl) or a bent uranyl bond (cis-uranyl). The
Tautomeric equilibria of 2- and 4-thiouracil in gas phase and in solvent: A density functional study
β Scribed by T. Marino; N. Russo; E. Sicilia; M. Toscano
- Publisher
- John Wiley and Sons
- Year
- 2001
- Tongue
- English
- Weight
- 164 KB
- Volume
- 82
- Category
- Article
- ISSN
- 0020-7608
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