We have used a variational approach to calculate some thermodynamic properties of the quasi-one dimensional liquid 3He such as the energy, entropy, free energy, equation of state and heat capacity at finite ...

In this article, the effect of the nonextensivity parameter on the energy fluctuations of nonextensive systems is studied in two different versions of the Tsallis statistical mechanics. Once a general expression has been ...

The hydrogen abstraction reaction by OH radical from CH2BrCH2Br (R1) and CH₃CHBr2 (R2) is investigated theoretically by semi-classical transition state theory. The stationary points for both reactions are located by using ...

The research in new organic π-conjugated molecules with specific properties has become one of the most interesting topics in fields of materials chemistry. These materials are promising for optoelectronic device technology ...

In the present study, the interactions of three different lithium species Li+, Li3+ and CH3Li with several different sites of the most stable tautomers ...

We study the coherent spin-polarized transport through a zigzag-edge graphene flake (ZGF), using Hubbard model in the nearest neighbor approximation within the framework of the Green function's technique and Landauer ...

This paper is mainly focusing on the determination of mean molal activity coefficient of HCl in aqueous acidic medium. The present investigations have been carried out to determine the activity coefficients of hydrochloric ...

The dependence of some thermodynamic properties of spin-polarized liquid 3He such as velocity of sound, adiabatic index, isentropic compressibility and temperature on the spin polarization has been investigated along ...

To improve drug selectivity toward target cells, one interesting approach for drug delivery is to use polymer nanoparticles. A two-layered ONIOM Becke3- LYP: UFF calculation was carried out to study the structural and ...

Systematic studies on the vapor-liquid equilibria (VLE) and conductometric properties of aqueous solutions of model surface-active ionic liquid 1-dodecyl-3-methylimidazolium bromide ([C12mim]Br) are performed in the absence ...