- Gazi University Journal of Science
- Vol: 16 Issue: 1
- CONFORMATION ANALYSIS OF THE COMPOUND C7H8Br4 AND OPTIMIZATION BY QUANTUM MECHANICAL METHODS, COMPAR...
CONFORMATION ANALYSIS OF THE COMPOUND C7H8Br4 AND OPTIMIZATION BY QUANTUM MECHANICAL METHODS, COMPARING THE ELECTRONIC AND STRUCTURAL PARAMETERS OBTAINED WITH THE RESULTS OF X-RAY STRUCTURE ANALYSIS
Authors : Ismail Çelik, Mehmet Akkurt, Semra Ide, Ahmet Tutar, Osman Çakmak
Pages : 27-35
View : 8 | Download : 4
Publication Date : 2010-08-09
Article Type : Other
Abstract :Normal 0 21 false false false TR X-NONE X-NONE In this study, the geometry of the compound whose structure was determined by X-ray single crystal diffraction was optimized by the molecular and quantum mechanical methods. The electronic and structural parameters obtained were compared with the experimental results. Key words: Conformation analysis, exo,endo,exo,exo-2,3,5,6- tetrabromonorbornane, electronic and structural parametersKeywords : Conformation analysis, exo, endo, exo, exo-2, 3, 5, 6- tetrabromonorbornane, electronic and structural parameters