Average article processing time (30-45 days)
Less than 5 volumes 30 days
8 - 9 volumes 40 days
10 and more volumes 45 days
Reach us
+32 25889658
Abstract
Ab initio studies on optimized geometries for the thiazole derivatives
Farshid Salimi, Masume Maleki, Ali Shafaghat, Mohmmad Khodadadi-Moghaddam
The molecular geometry and energies of N,N'-bis(2-Thiazol-yl)methylenediamin (1) in the ground state are calculated by using the HF method with 6-31G* basis sets. The calculated HOMO and LUMO energies also confirm that charge transfer occurs within the molecule. The geometries and energies obtained from HF/6-31G* calculations are in good agreement with the experimentally observed data.
