using the gaussian 2003 software and mp2/ 6–311 ++ g** method for he: he, ne:ne andmp2/6-31g method for ar: ar, kr: kr and hf/sto-3g method for xe: xe, the optimizedinteraction energies between two like atoms of rare gases (he, ne, ar, kr and xe) as a functionof the distances between the centers of two considered atoms were evaluated and the resultswere interpreted according to the lennard – jo...

the interaction between the solute and the solsent molecules play a crucial role in understanding the various molecular processes involved in chemistry and biochemistry, so in this work the potential energy of active site of azurin have been calculated in solvent by the monte carlo simulation. in this paper we present quantitative results of monte carlo calculations of potential energies of ...

We apply conformal solution theory and extend to mixtures a recently derived equation of state for glass-forming liquids. The equation of state is based on the statistical properties of the multidimensional potential energy surface as a function of a macroscopic system’s degrees of freedom (energy landscape), and allows the calculation of an ideal glass transition locus, along which the configu...

We discuss the phenomenon of physical aging in a well studied atomic model liquid, a binary mixture of particles interacting with Lennard-Jones potentials. We put emphasis on the different dynamical behaviours of the model as well as on the relations between the experimental and numerical timescales. The physics of aging is discussed within a well characterized thermodynamic framework, based on...

results addiction potential was positively related to personality characteristics. we found that those with the highest addiction potential (47%) exhibited the following 3 traits: char­acteristics of schizophrenia, psychological exhaustion, and depression. conclusions there were no significant differences in the addiction potential among the students with respect to grade, field of study, age, ...

The understanding of the intermolecular pair potential is important for determining the physical andchemical properties of the matter. The new data for noble gasses was calculated with Soft-CoreDouble Yukawa Potential (SCDY). We studied the effect of the Soft- Core potential on the phasebehavior with Hartree-Fock-Dispersion (HFD) Potential. This model had a steep repulsionexponential term and d...

an integrated model for magnetoencephalography (meg) and functional magnetic resonance imaging (fmri) is proposed. in the proposed model, meg and fmri outputs are related to the corresponding aspects of neural activities in a voxel. post synaptic potentials (psps) and action potentials (aps) are two main signals generated by neural activities. in the model, both of meg and fmri are related to t...

Water potential is amongst the most useful parameters for the measurement of the degree of water stress in plants. With the objective of mitigating adverse effects of moisture stress on water potential, osmotic potential and pressure potential of wheat variety Inquilab-91, a greenhouse experiment was conducted using two moisture levels viz., normal moisture supply and moisture stress at crown r...

the aim of this study was to identify the effect of spermine and salicylic acid on several growth parameters, such as shoot length, shoot fresh and dry weights, amount of protein and carbohydrate, of badami and qazvini pistachio cultivated variety under copper stress. the experiment design was completely randomized with three replicates per treatment and four levels of copper (o.5, 30, 45, 60 µ...