Volume 6, Issue 4
مرور بر اساس
ارسال های اخیر
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Singlet-Triplet Energy Splitting of Divalent Five-Membered Ring NI2C2H2C (M = N,P, As and Sb)
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2010-02-01)In recent work, thermal energy gaps. AE, it °PUPS gas, Ana; Gibbs free energy gaps, AG.,, between singlet(s) and triplet 0) states of 5.12C3H2C, I m (4 N. P. As and Sb) were calculated and compared with those
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Investigation of Different Solvents and Temperatures Effects on (3,7) Single-Walled Carbon Nanotubes: DFT Study
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2010-02-01)In this research, we have studied the structural propenies of water. methanol and ethanol surrounding snidewalledcarbon nanotube (SWCNT) and mixed of them either and we have investigated the solvent effects on
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Potentiometric Study on the Interaction of Hexadecyl Ttimethyl Ammonium Bromide (HTAB) with Urease Enzyme
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2010-02-01)In this research, the interaction of hexadecyl trimahyl ammonium bromide (HTAB) with enzyme ureasehas been investigated comprehensively at different experimental conditions such as ionic strength, protein
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A Theoretical Investigation of Kinetics and Mechanism of Aza-Cope Rearrangement
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2010-02-01)A theoretical study of the kinetic and mechanism of 3-aug-Cope rearrangement in gas phase was performed usingDET methods at B3LYP levels of theory with 6-3114iG(d,p) bass set at 298.I5K. Equilibrium molecular
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DFT Study of NMR Shielding Tensors and Thermodynamic Properties on Pyrene and its Derivatives
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2010-02-01)Emissions from fossil fuel combustion pose a serious threat to public health and =pose the need for animproved monitoring of polycyclic aromatic hydrocarbons (PARS), a major class of persistent organicpollutants. ...
