- English
- فارسی
paper32
Authors
Hossein Tavakol
Publication date
2014
Journal
Arabian Journal of Chemistry
Publisher
Elsevier
Description
Abstract 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 investigated. Nine tautomers for uracil (U) and twenty
U-Ag+ complexes were considered in this study. The IR spectra for three most stable
tautomers and complexes were graphically presented, showing significant differences ...
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 investigated. Nine tautomers for uracil (U) and twenty
U-Ag+ complexes were considered in this study. The IR spectra for three most stable
tautomers and complexes were graphically presented, showing significant differences ...