Volume 11, Issue 1
مرور بر اساس
ارسال های اخیر
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A DFT study of interaction of folic acid drug on functionalized single-walled Carbon Nanotubes
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2014-04-01)In this work, the structural and electronic properties of folic acid molecule on functionalized (7,0)zigzag single-walled carbon nanotube was studied in gas phase on the basis of density functionaltheory (DFT). ...
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Investigation of relationship with electron configuration of chemical hardness, absolute electronegativity and electrophilicity
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2014-04-01)Chemical hardness ( ), absolute electronegativity ( ), and electrophilicity ( ) have importantapplications in inorganic chemistry. These concepts are defined quantitatively as � � �� � ����,� � �� � ����, � � ...
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Doping finite-length carbon and boron nitride nanotubes with aluminium atom: A thermodynamic semiempirical investigation
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2014-04-01)The doping reaction of truncated boron nitride and carbon nanotubes with aluminium atom wastheoretically investigated. The AM1, PM3, and PM6 semiempirical methods have been used toevaluate the thermochemistry ...
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Determination of water quality parameters and nutrient level with an Adaptive Neuro- Fuzzy Inference System
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2014-04-01)In this research, the physico-chemical water quality parameters and the effect of climate changes onwater quality is evaluated. During the observation period (5 months) physico-chemical parameterssuch as water ...
