Volume 9, Issue 4

 

ارسال های اخیر

  • Investigation of analytical and numerical solutions for one-dimensional independent-oftime Schrödinger Equation 

    Yousefian Molla, Z.؛ Islampour, Gh. (Tehran, Islamic Azad University of Iran, Science and Research Branch, 2013-01-01)
    In this paper, the numerical solution methods of one- particale, one – dimensional time- independentSchrodinger equation are presented that allows one to obtain accurate bound state eigen values andeigen functions ...

  • The investigation of ionic association in the CdF2 solution with the mixed solvent (water +ethanol +propanol) at 25°C 

    Aghaie, M.؛ Jalili, T. (Tehran, Islamic Azad University of Iran, Science and Research Branch, 2013-01-01)
    Using the mixed solvents, (water +ethanol + propanol), the solubility of CdF2 was determined byevaporating method at 25° C. The results showed that the sollbility, s, of CdF2 decreases bydecreasing the dielectric ...

  • Different substituted phenyl carbenes / silylenes/ germylenes: a survey of stability 

    Naderi, Fereshteh؛ Bagheri, Rahimeh؛ Yari, Mohammad (Tehran, Islamic Azad University of Iran, Science and Research Branch, 2013-01-01)
    The effects of halogens; fluorine, chlorine and bromine, on the stability and multiplicity of phenylcarbenes / silylenes/ germylenes structures are compared and contrasted at B3LYP/6-311++G**//B3LYP/6-31+G* ...

  • Solvent Effect on Aquaporin4 

    Shojaee, S.؛ Monajjemi, M. (Tehran, Islamic Azad University of Iran, Science and Research Branch, 2013-01-01)
    Aquaporins are integral membrane proteins from a larger family of major intrinsic proteins that formpores in the membrane of biological cells. Aquaporins form tetramers in the cell membrane with eachmonomer ...

  • Theoretical thermodynamic study of CO and O2 Adsorption on Au14 Nano Cluster 

    Ghasemlou, Somayyeh؛ Aghaie, H. (Tehran, Islamic Azad University of Iran, Science and Research Branch, 2013-01-01)
    The Density of State and the Natural Bond Orbital calculations were carried out to study theoxidation of CO on Au14 nano cluster through two different mechanisms and determining the bestmechanism for the reaction. ...

  • Theoretical Study of the Solvent Effect on the Stability Energies of Pyrazole and Pyrazoline 

    Keshavarz Rezaei, Farideh (Tehran, Islamic Azad University of Iran, Science and Research Branch, 2013-01-01)
    Using the Density Functional Theory (DFT) level by means of 3-21G, 6-31G and 6-31+G (d) basissets, the structural optimization of isolated Pyrazole and Pyrazoline was done in the gas phase. Then,the calculation ...

  • Catalyst of Ni and Co dependencies for carbon nanotube synthesis by CVD method 

    Amani Malkeshi, Morrasa؛ Zare, Karim (Tehran, Islamic Azad University of Iran, Science and Research Branch, 2013-01-01)
    In this research, the effect of catalyst type on the CNTs synthesis was investigated. The carbonnanotubes (CNTs) were produced on stainless steel substrates and two of catalyst with differentcharacteristics by ...

  • Density Functional Study on Stability and Structural Properties of Cu n clusters 

    Ketabi, Sepideh؛ Ghasemi, Giti (Tehran, Islamic Azad University of Iran, Science and Research Branch, 2013-01-01)
    In this research DFT/B3LYP method has been employed to investigate the geometrical structures,relative stabilities, and electronic properties of Cun (n=3–10) clusters for clarifying the effect of sizeon the ...