Study of binding energies using DFT methods, vibrational frequencies and solvent effects in the interaction of silver ions with uracil tautomers
Relative energies and optimized structures of uracil tautomers and their complexes with silver ions were obtained using B3LYP calculations and more properties were investigated using AIM and NBO calculations. The interactions between all uracil tautomers and silver ions in different ways were invest...
| Main Author: | |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2017-02-01
|
| Series: | Arabian Journal of Chemistry |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S1878535212002985 |