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Study the physical properties for Nitrogen molecules by using software molecular modeling by using(PM3) semiemperical method of quantum mechanic | ||
| Journal of Kufa - physics | ||
| Article 1, Volume 8, Issue 1, 2016, Pages 1-10 | ||
| Author | ||
| Mushaq Talib Al- Helaly | ||
| Abstract | ||
| This research study nitrogen molecules(N2) which is consider as linear molecule with diatoms atoms, The aim of this research was studying the effect of the bond(NN) on the thermal and spectral properties of N2 molecules by using one of semiemperical methods of quantum mechanic (PM3)and comparison with the experimental results.We calculate and study the importanl physical properties for N2 molecules like geometrical shape at equailibrium point,calculation the stretch length of the bond ((NN) and from potiential dissiontion enrgy curve of N2 molecules we calculate the spectral decay enrgy and the frequency of vibration mode of the N2 molecules Also,we studied the thermal properties(thermodynamic) for the molecules with range from (100-500)K these properties are the heat of formation, heat capacity,entropy and enthalpy.The relations between these properties with temperature were ploted and discussed with expermintal results. | ||
| Keywords | ||
| Thermal properties for N; spectral properties for N; method | ||
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