- All Journals
- Al-Qadisiyah University
- Basrah University
- Kirkuk University
- Mosul University
- The Iraqi Borad for Medical Specialization
- University of Anbar
- University of Technology
- Al Mustafa University
- Al-Zahraa University for Women
- Alnoor University
- Kunooz University
- Misan University
- Ninevah University
- Tikrit University
- University of Al-Hamdaniya
- University of Kerbala
MINDO/3-FORCES Study On Some Monosubstituted Triafulvalenes | ||
| journal of kerbala university | ||
| Article 1, Volume 4, Issue 4, 2008, Pages 166-171 PDF (0 K) | ||
| Author | ||
| J.H. Ali | ||
| Abstract | ||
| MINDO/3-FORCES calculations have been done after complete optimization of geometry on X-monosubstituted triafulvalene molecules , where X is CN, OH , NO2, NH2, CH3, and cyclopropyl. It was found all these substituents are stabilizing . Also, all the substituents increase the dipole moment .Geometric parameters, heats of formation, orbital energies and the electron densities are reported | ||
| Keywords | ||
| MINDO; FORCES version; program; mono substituted triafulvalenes | ||
|
Statistics Article View: 192 PDF Download: 140 |
||